Geometry & MOs

Info

ID:	13587
PubChem CID:	301230
Reduced:	SN4O6C14H14 (1)
Stoich.:	AB4C6D14E14 (1)
Weight, g/mol:	366.063405
ΔH_f, kcal/mol:	-54.75
Dipole, Da:	12.52
IP(EA), eV:	-9.47(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[4-(methylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations