Geometry & MOs

Info

ID:	250900
PubChem CID:	103099820
Reduced:	ClNS2O4C11H14 (1)
Stoich.:	ABC2D4E11F14 (1)
Weight, g/mol:	349.991025
ΔH_f, kcal/mol:	-139.78
Dipole, Da:	4.32
IP(EA), eV:	-9.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCC2(CCC2)C(=O)O)Cl

DOS

IR

Vibrations