Geometry & MOs

Info

ID:	2455
PubChem CID:	7566
Reduced:	SN2O2H10C12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	246.046299
ΔH_f, kcal/mol:	40.39
Dipole, Da:	8.83
IP(EA), eV:	-8.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-nitrophenyl)sulfanylaniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations