Geometry & MOs

Info

ID:	84246
PubChem CID:	49865099
Reduced:	SN4O6H18C20 (1)
Stoich.:	AB4C6D18E20 (1)
Weight, g/mol:	406.094705
ΔH_f, kcal/mol:	1.35
Dipole, Da:	4.89
IP(EA), eV:	-10.02(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzyl(cyclopropylmethyl)amino]-3,5-dinitrobenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C=C(C=C3[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations