Geometry & MOs

Info

ID:	193639
PubChem CID:	78416662
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	-25.32
Dipole, Da:	4.9
IP(EA), eV:	-8.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4-oxo-5H-pyrimidine-5-carbohydrazide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)C=CC3NC(=C4C=CC=CC4=O)ON3

DOS

IR

Vibrations