Geometry & MOs

Info

ID:	366145
PubChem CID:	127319547
Reduced:	NSO5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	390.107185
ΔH_f, kcal/mol:	-193.6
Dipole, Da:	4.28
IP(EA), eV:	-8.77(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzothiazol-2-yl)-N-(1,1-dioxothian-3-yl)cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations