Geometry & MOs

Info

ID:	250894
PubChem CID:	103099763
Reduced:	ClNS2O4C12H16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	350.961362
ΔH_f, kcal/mol:	-155.76
Dipole, Da:	9.65
IP(EA), eV:	-9.81(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCC2CCCC2C(=O)O)Cl

DOS

IR

Vibrations