Geometry & MOs

Info

ID:	13584
PubChem CID:	301223
Reduced:	SN4O6C16H18 (1)
Stoich.:	AB4C6D16E18 (1)
Weight, g/mol:	394.094705
ΔH_f, kcal/mol:	-37.39
Dipole, Da:	13.12
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations