Geometry & MOs

Info

ID:	142075
PubChem CID:	52976890
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	482.038932
ΔH_f, kcal/mol:	26.03
Dipole, Da:	8.04
IP(EA), eV:	-9.3(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2-[(2,4-dichlorophenyl)methoxy]benzamide

Drug info:

PubChemData

Smile

CN1C2CCCCC2SC1=NC(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations