Geometry & MOs

Info

ID:	141384
PubChem CID:	52871678
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	376.122808
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	7.43
IP(EA), eV:	-8.66(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2=CC=CC=C2NC(=O)CC3=CC=CS3)C(=O)N

DOS

IR

Vibrations