Geometry & MOs

Info

ID:	167970
PubChem CID:	74907504
Reduced:	SN4O5C13H21 (1)
Stoich.:	AB4C5D13E21 (1)
Weight, g/mol:	420.046604
ΔH_f, kcal/mol:	-211.74
Dipole, Da:	1.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755563
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(2-chlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=[N+](C(=O)N(C(=O)C1S(=O)(=O)N2CCC(CC2)C(=O)N)C)C

DOS

IR

Vibrations