Geometry & MOs

Info

ID:	1702
PubChem CID:	4903
Reduced:	SO5C21H32 (1)
Stoich.:	AB5C21D32 (1)
Weight, g/mol:	396.197045
ΔH_f, kcal/mol:	-249.35
Dipole, Da:	7.23
IP(EA), eV:	-9.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C

DOS

IR

Vibrations