Geometry & MOs

Info

ID:	238262
PubChem CID:	92729849
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	473.09502
ΔH_f, kcal/mol:	-122.36
Dipole, Da:	4.8
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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=CC=C3

DOS

IR

Vibrations