Geometry & MOs

Info

ID:	169047
PubChem CID:	75059293
Reduced:	ClFS2O3N5C22H24 (1)
Stoich.:	ABC2D3E5F22G24 (1)
Weight, g/mol:	554.020691
ΔH_f, kcal/mol:	-37.12
Dipole, Da:	4.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.908900
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=NC=CN1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)C=CC4=CC=C(S4)Cl)F

DOS

IR

Vibrations