Geometry & MOs

Info

ID:	245543
PubChem CID:	99453794
Reduced:	Cl2N3O3H23C26 (1)
Stoich.:	A2B3C3D23E26 (1)
Weight, g/mol:	495.111647
ΔH_f, kcal/mol:	-80.36
Dipole, Da:	11.57
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3-benzamido-4-methylbenzoyl)-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC[C@@H]2C(=O)NC3=C(C=CC(=C3)Cl)Cl)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations