Geometry & MOs

Info

ID:	180437
PubChem CID:	76632724
Reduced:	SN3O5C11H19 (1)
Stoich.:	AB3C5D11E19 (1)
Weight, g/mol:	288.245316
ΔH_f, kcal/mol:	-178.18
Dipole, Da:	5.88
IP(EA), eV:	-9.63(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCC(C(=O)N1CC(CC1C(=O)O)O)SN=O)N

DOS

IR

Vibrations