Geometry & MOs

Info

ID:	151264
PubChem CID:	53790964
Reduced:	ClNSO3H10C12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	352.24023
ΔH_f, kcal/mol:	-91.47
Dipole, Da:	5.53
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)N(CC(=O)O)C(=O)CCl

DOS

IR

Vibrations