Geometry & MOs

Info

ID:	366178
PubChem CID:	127319587
Reduced:	ClNS2O3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	338.075885
ΔH_f, kcal/mol:	-126.96
Dipole, Da:	7.38
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CCSC2=CC=CC=C2Cl

DOS

IR

Vibrations