Geometry & MOs

Info

ID:	243099
PubChem CID:	99215537
Reduced:	BrSO2N4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	467.257277
ΔH_f, kcal/mol:	3.05
Dipole, Da:	3.3
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-benzyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC=CS2)C3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations