Geometry & MOs

Info

ID:	62854
PubChem CID:	26737270
Reduced:	Cl2N2O4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	412.065984
ΔH_f, kcal/mol:	-130.04
Dipole, Da:	6.34
IP(EA), eV:	-8.55(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations