Geometry & MOs

Info

ID:	237166
PubChem CID:	92717728
Reduced:	ClFOSN4H14C20 (1)
Stoich.:	ABCDE4F14G20 (1)
Weight, g/mol:	409.155705
ΔH_f, kcal/mol:	35.03
Dipole, Da:	7.92
IP(EA), eV:	-8.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2[C@H](CC(=O)N=C2N(N1)C3=NC4=CC=CC=C4S3)C5=C(C=CC=C5Cl)F

DOS

IR

Vibrations