Geometry & MOs

Info

ID:	172049
PubChem CID:	75459326
Reduced:	NPSCl2O2C22H26 (1)
Stoich.:	ABCD2E2F22G26 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-71.72
Dipole, Da:	6.13
IP(EA), eV:	-8.27(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2,5-dimethoxyphenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COCCN(CCOC)P(=S)(/C=C(\C1=CC=CC=C1)/Cl)/C=C(/C2=CC=CC=C2)\Cl

DOS

IR

Vibrations