Geometry & MOs

Info

ID:	25227
PubChem CID:	621092
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	428.365431
ΔH_f, kcal/mol:	-139.34
Dipole, Da:	3.51
IP(EA), eV:	-8.77(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(6-methylhept-3-en-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)C=CC3=O

DOS

IR

Vibrations