Geometry & MOs

Info

ID:

8543

PubChem CID:

78971

Reduced:

O2C45H78 (1)

Stoich.:

A2B45C78 (1)

Weight, g/mol:

650.600182

ΔHf, kcal/mol:

-222.05

Dipole, Da:

1.68

IP(EA), eV:

 -9.02(1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

DOS

IR

Vibrations