Geometry & MOs

Info

ID:	238294
PubChem CID:	92729951
Reduced:	BrN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	5.37
IP(EA), eV:	-9.39(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)NC4CC4

DOS

IR

Vibrations