Geometry & MOs

Info

ID:	123309
PubChem CID:	50841769
Reduced:	FSO3N4H17C21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	494.084925
ΔH_f, kcal/mol:	-60.79
Dipole, Da:	4.73
IP(EA), eV:	-8.94(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)CN2C=NC3=C(C2=O)SN=C3C4=CC=C(C=C4)F

DOS

IR

Vibrations