Geometry & MOs

Info

ID:	222709
PubChem CID:	85332057
Reduced:	N2O4C29H42 (1)
Stoich.:	A2B4C29D42 (1)
Weight, g/mol:	482.249081
ΔH_f, kcal/mol:	-182.51
Dipole, Da:	3.07
IP(EA), eV:	-8.03(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCCCC1=C(C=CC(=C1)OCC(CNC(C)(C)CC2CC3=CC=CC=C3C2)O)N

DOS

IR

Vibrations