Geometry & MOs

Info

ID:	173559
PubChem CID:	75652670
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	379.086487
ΔH_f, kcal/mol:	-175.58
Dipole, Da:	2.24
IP(EA), eV:	-8.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[(2-benzoylhydrazinyl)methylidene]-1-(2-methylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate

Drug info:

PubChemData

Smile

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=NC(=O)C(=C4CCCCC4)C(=O)N3)OC)OC

DOS

IR

Vibrations