Geometry & MOs

Info

ID:	13469
PubChem CID:	234577
Reduced:	PSN4O4H15C18 (1)
Stoich.:	ABC4D4E15F18 (1)
Weight, g/mol:	414.055163
ΔH_f, kcal/mol:	4.29
Dipole, Da:	8.34
IP(EA), eV:	-9.72(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[(4-nitroanilino)-phenylphosphinothioyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=S)(NC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations