Geometry & MOs

Info

ID:	30391
PubChem CID:	841244
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	286.077599
ΔH_f, kcal/mol:	-0.39
Dipole, Da:	8.38
IP(EA), eV:	-9.63(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=C(N(N=C2)C)C)[N+](=O)[O-]

DOS

IR

Vibrations