Geometry & MOs

Info

ID:	250872
PubChem CID:	103099648
Reduced:	ClNS2O4C10H12 (1)
Stoich.:	ABC2D4E10F12 (1)
Weight, g/mol:	311.005278
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	3.52
IP(EA), eV:	-9.69(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-propylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N(CC(=O)O)C2CC2)Cl

DOS

IR

Vibrations