Geometry & MOs

Info

ID:	25502
PubChem CID:	625883
Reduced:	OCl2N2H8C14 (1)
Stoich.:	AB2C2D8E14 (1)
Weight, g/mol:	291.031377
ΔH_f, kcal/mol:	41.09
Dipole, Da:	4.87
IP(EA), eV:	-9.18(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-4-(4-nitrophenyl)sulfanylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)N=CC2=C(C(=CC(=C2)Cl)Cl)O

DOS

IR

Vibrations