Geometry & MOs

Info

ID:	227335
PubChem CID:	87561330
Reduced:	ClKSN2O3H5C8 (1)
Stoich.:	ABCD2E3F5G8 (1)
Weight, g/mol:	514.968149
ΔH_f, kcal/mol:	-132.23
Dipole, Da:	8.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.086381
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-1-benzothiophen-3-yl)-N-(3,5-dichlorophenyl)-N-ethenyl-2-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C(=N2)Cl)S(=O)(=O)O.[K]

DOS

IR

Vibrations