Geometry & MOs

Info

ID:	250891
PubChem CID:	103099753
Reduced:	ClNS2O4C12H18 (1)
Stoich.:	ABC2D4E12F18 (1)
Weight, g/mol:	353.052228
ΔH_f, kcal/mol:	-167.49
Dipole, Da:	6.65
IP(EA), eV:	-9.28(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4,4-dimethylhexanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations