Geometry & MOs

Info

ID:	392232
PubChem CID:	135013808
Reduced:	NO7C16H27 (1)
Stoich.:	AB7C16D27 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	-350.06
Dipole, Da:	2.95
IP(EA), eV:	-9.96(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetate

Drug info:

PubChemData

Smile

CC1(N([C@@](CO1)(CCC(=O)OC)C(=O)OC)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations