Geometry & MOs

Info

ID:	8807
PubChem CID:	81778
Reduced:	ClPS2O3C9H12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	297.965401
ΔH_f, kcal/mol:	-171.49
Dipole, Da:	3.5
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-(dimethoxyphosphorylsulfanylmethylsulfanyl)benzene

Drug info:

PubChemData

Smile

COP(=O)(OC)SCSC1=CC=C(C=C1)Cl

DOS

IR

Vibrations