Geometry & MOs

Info

ID:	85498
PubChem CID:	49876079
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	362.078183
ΔH_f, kcal/mol:	-18.55
Dipole, Da:	2.99
IP(EA), eV:	-9.19(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-methylanilino)acetohydrazide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1OCC3=NNC(=S)O3

DOS

IR

Vibrations