Geometry & MOs

Info

ID:	127693
PubChem CID:	51011618
Reduced:	NF2O5C35H41 (1)
Stoich.:	AB2C5D35E41 (1)
Weight, g/mol:	572.334918
ΔH_f, kcal/mol:	-282.52
Dipole, Da:	2.89
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R,6R,7S,8R)-1-methoxy-7-(methoxymethoxy)-4-[(4R)-4-[(1R)-1-[(4-methoxyphenyl)methoxy]prop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5,11,11-trimethyltricyclo[6.2.1.02,6]undec-3-en-6-ol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CCC[C@@]2([C@H](CC[C@]23CN(C(=O)O3)C[C@@H]4CCCO4)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC(=C(C=C6)F)F)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CCC[C@@]2([C@H](CC[C@]23CN(C(=O)O3)C[C@@H]4CCCO4)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC(=C(C=C6)F)F)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):