Geometry & MOs

Info

ID:	413094
PubChem CID:	135086038
Reduced:	BrNSO2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	408.089226
ΔH_f, kcal/mol:	-10.52
Dipole, Da:	5.3
IP(EA), eV:	-9.82(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dinitro-N-[(Z)-(1-phenyl-2-phenylsulfanylethylidene)amino]aniline

Drug info:

PubChemData

Smile

CCCCCCCCC1=C(SC(=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations