Geometry & MOs

Info

ID:	238292
PubChem CID:	92729949
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	455.08445
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	8.18
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-[(4-bromobenzoyl)amino]benzoyl]-N-cyclopropylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations