Geometry & MOs

Info

ID:	22955
PubChem CID:	600122
Reduced:	O3C34H48 (1)
Stoich.:	A3B34C48 (1)
Weight, g/mol:	504.360345
ΔH_f, kcal/mol:	-167.13
Dipole, Da:	6.46
IP(EA), eV:	-9.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C

DOS

IR

Vibrations