Geometry & MOs

Info

ID:	402518
PubChem CID:	135056258
Reduced:	SN5O5C20H31 (1)
Stoich.:	AB5C5D20E31 (1)
Weight, g/mol:	339.256215
ΔH_f, kcal/mol:	-215.48
Dipole, Da:	2.89
IP(EA), eV:	-9.85(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8R,9S,10R,13S,14S)-7,13-dimethyl-3-pyrrolidin-1-yl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]2CCCN2

DOS

IR

Vibrations