Geometry & MOs

Info

ID:	141385
PubChem CID:	52871679
Reduced:	ClFO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	375.114983
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	4.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039375
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[2-[(2-chloro-4-fluorobenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]([NH+](C1)CC2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)F)Cl)C(=O)N

DOS

IR

Vibrations