Geometry & MOs

Info

ID:	123314
PubChem CID:	50842014
Reduced:	FS2O3N4C21H23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	464.074361
ΔH_f, kcal/mol:	-94.55
Dipole, Da:	11.66
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=CN2CC(=O)N3CCCC3)S(=O)(=O)NCC4=CC=CC=C4F

DOS

IR

Vibrations