Geometry & MOs

Info

ID:	14869
PubChem CID:	423108
Reduced:	SN3O7C8H9 (1)
Stoich.:	AB3C7D8E9 (1)
Weight, g/mol:	291.016121
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	4.33
IP(EA), eV:	-10.43(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethylamino)-3,5-dinitrobenzenesulfonic acid

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations