Geometry & MOs

Info

ID:	129187
PubChem CID:	51071889
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	410.15902
ΔH_f, kcal/mol:	-92.67
Dipole, Da:	6.54
IP(EA), eV:	-9.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-benzamidoethyl)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=CC=C2Cl)C(=O)NCCNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations