Geometry & MOs

Info

ID:	85648
PubChem CID:	49877852
Reduced:	NS2O3C16H17 (2)
Stoich.:	AB2C3D16E17 (2)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-153.81
Dipole, Da:	15.86
IP(EA), eV:	-8.47(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylanilino)-N'-[(E)-(2-oxonaphthalen-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)/C=C\4/N(C5=C(S4)C=CC(=C5)C)CCCS(=O)(=O)[O-]

DOS

IR

Vibrations