Geometry & MOs

Info

ID:	250868
PubChem CID:	103099628
Reduced:	ClN2S2O5C9H11 (1)
Stoich.:	AB2C2D5E9F11 (1)
Weight, g/mol:	325.020928
ΔH_f, kcal/mol:	-182.92
Dipole, Da:	6.2
IP(EA), eV:	-9.9(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations