Geometry & MOs

Info

ID:	179385
PubChem CID:	76475737
Reduced:	SN3O7C33H55 (1)
Stoich.:	AB3C7D33E55 (1)
Weight, g/mol:	316.276616
ΔH_f, kcal/mol:	-354.41
Dipole, Da:	6.06
IP(EA), eV:	-8.87(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-ethyl-6,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC1(CCCCC1)C(C)C(C(CN2CCOCC2)O)O)NC(=O)C(CC3=CC=CC=C3)CS(=O)(=O)CC

DOS

IR

Vibrations