Geometry & MOs

Info

ID:	18095
PubChem CID:	538071
Reduced:	O5C26H40 (1)
Stoich.:	A5B26C40 (1)
Weight, g/mol:	432.287574
ΔH_f, kcal/mol:	-283.81
Dipole, Da:	4.92
IP(EA), eV:	-9.8(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-acetyloxy-10-methyl-12-oxo-2,3,4,5,6,7,8,9,11,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)C1CCC2C1C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C

DOS

IR

Vibrations