Geometry & MOs

Info

ID:	238263
PubChem CID:	92729850
Reduced:	BrN3O4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	473.09502
ΔH_f, kcal/mol:	-120.68
Dipole, Da:	3.72
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations