Geometry & MOs

Info

ID:	244605
PubChem CID:	99368193
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	444.0797
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	2.74
IP(EA), eV:	-9.29(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3-bromophenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)O[C@H](C)C(=O)NCC(=O)N(C)CC2=CN=CC=C2

DOS

IR

Vibrations