Geometry & MOs

Info

ID:	387099
PubChem CID:	134983982
Reduced:	H2N2C3O3 (2)
Stoich.:	A2B2C3D3 (2)
Weight, g/mol:	322.054101
ΔH_f, kcal/mol:	21.8
Dipole, Da:	3.38
IP(EA), eV:	-10.75(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-dimethylphosphoryl-4-(4-nitrophenyl)sulfanylaniline

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[N+](=O)[O-]

DOS

IR

Vibrations