Geometry & MOs

Info

ID:	13375
PubChem CID:	228092
Reduced:	SN4O4C10H12 (1)
Stoich.:	AB4C4D10E12 (1)
Weight, g/mol:	284.057926
ΔH_f, kcal/mol:	33.62
Dipole, Da:	7.27
IP(EA), eV:	-9.28(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline

Drug info:

PubChemData

Smile

CC(C=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])SC

DOS

IR

Vibrations