Geometry & MOs

Info

ID:	46845
PubChem CID:	10527796
Reduced:	O2C9H12 (3)
Stoich.:	A2B9C12 (3)
Weight, g/mol:	456.287574
ΔH_f, kcal/mol:	-84.93
Dipole, Da:	9.09
IP(EA), eV:	-9.22(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R,10S,11S,14R,15R,18S)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-18-hydroperoxy-10,14-dimethyl-3,19-dioxahexacyclo[9.7.1.01,11.02,4.05,10.014,18]nonadec-5-en-7-one

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

C/C/1=C/[C@H]2C(=C(C(=O)O2)C)C[C@H]3C(=CC[C@@H]([C@@]3([C@H](CC1)OC(=O)C=C(C)C)C)OC(=O)C)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

C/C/1=C/[C@H]2C(=C(C(=O)O2)C)C[C@H]3C(=CC[C@@H]([C@@]3([C@H](CC1)OC(=O)C=C(C)C)C)OC(=O)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):