Geometry & MOs

Info

ID:	67697
PubChem CID:	46506991
Reduced:	OSN3H21C27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	298.008199
ΔH_f, kcal/mol:	88.52
Dipole, Da:	1.49
IP(EA), eV:	-8.53(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C(=NC2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations