Geometry & MOs

Info

ID:	401310
PubChem CID:	135050883
Reduced:	NaO2S2N3H8C11 (1)
Stoich.:	AB2C2D3E8F11 (1)
Weight, g/mol:	199.040006
ΔH_f, kcal/mol:	-41.9
Dipole, Da:	19.44
IP(EA), eV:	-7.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-chloro-6-[1-(hydroxyamino)propylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=C(C#N)C#N)[S-].[Na+]

DOS

IR

Vibrations