Geometry & MOs

Info

ID:	25801
PubChem CID:	630967
Reduced:	SN4O4C14H20 (1)
Stoich.:	AB4C4D14E20 (1)
Weight, g/mol:	340.203845
ΔH_f, kcal/mol:	-160.59
Dipole, Da:	4.71
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propanoate

Drug info:

PubChemData

Smile

CCCN1C2=C(N=C1SCCC(=O)OCC)N(C(=O)NC2=O)C

DOS

IR

Vibrations