Geometry & MOs

Info

ID:	54490
PubChem CID:	17388768
Reduced:	BrSCl2N2O3C15H15 (1)
Stoich.:	ABC2D2E3F15G15 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	6.9
IP(EA), eV:	-9.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylanilino)-N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

C1COCCN1/C(=C(\C(=C(\Cl)/Br)\Cl)/[N+](=O)[O-])/SCC2=CC=CC=C2

DOS

IR

Vibrations