Geometry & MOs

Info

ID:	343283
PubChem CID:	127266456
Reduced:	SN3O4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	317.112404
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	6.01
IP(EA), eV:	-8.67(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]methylidene]-2-methoxy-6-nitrocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=C/C(=C/NNC2=CC=C(C=C2)S(=O)(=O)N)/C(=O)C(=C1)O

DOS

IR

Vibrations