Geometry & MOs

Info

ID:	426030
PubChem CID:	135135026
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	467.115107
ΔH_f, kcal/mol:	-21.29
Dipole, Da:	0.99
IP(EA), eV:	-7.9(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-(4-methylanilino)-2-oxoacetyl]amino]anilino]-2-oxo-1-phenylethanesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC2=[N+](C3=C(C(=CC=C3)OC)[N+](=C2C=C1C)O)OC

DOS

IR

Vibrations