Geometry & MOs

Info

ID:	149320
PubChem CID:	53788992
Reduced:	SO2Cl3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	330.09642
ΔH_f, kcal/mol:	-59.57
Dipole, Da:	2.59
IP(EA), eV:	-9.74(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-5-methyl-3-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(SCl)(Cl)Cl

DOS

IR

Vibrations