Geometry & MOs

Info

ID:	250864
PubChem CID:	103099611
Reduced:	ClNS2O4H12C13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	374.967178
ΔH_f, kcal/mol:	-112.15
Dipole, Da:	4.84
IP(EA), eV:	-9.62(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylsulfonylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O)Cl

DOS

IR

Vibrations