Geometry & MOs

Info

ID:	320205
PubChem CID:	126658704
Reduced:	O9C32H46 (1)
Stoich.:	A9B32C46 (1)
Weight, g/mol:	500.277404
ΔH_f, kcal/mol:	-302.83
Dipole, Da:	4.74
IP(EA), eV:	-8.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S,6R)-5-methoxy-4-[(2S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-(2-ethoxyethoxy)phenyl]prop-2-enoate

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

CC(C)OCCOC1=C(C=C(C=C1OC)/C=C/C(=O)OC2CC[C@]3(CO3)[C@H]([C@@H]2OC)C4(C(O4)CC=C(C)C)C)OC

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

CC(C)OCCOC1=C(C=C(C=C1OC)/C=C/C(=O)OC2CC[C@]3(CO3)[C@H]([C@@H]2OC)C4(C(O4)CC=C(C)C)C)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):