Geometry & MOs

Info

ID:	8408
PubChem CID:	77439
Reduced:	NPSO5C8H10 (1)
Stoich.:	ABCD5E8F10 (1)
Weight, g/mol:	263.001731
ΔH_f, kcal/mol:	-175.72
Dipole, Da:	5.79
IP(EA), eV:	-10.21(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dimethoxyphosphorylsulfanyl-4-nitrobenzene

Drug info:

PubChemData

Smile

COP(=O)(OC)SC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations