Geometry & MOs

Info

ID:	184112
PubChem CID:	77111520
Reduced:	NOSC7H7 (2)
Stoich.:	ABCD7E7 (2)
Weight, g/mol:	262.057612
ΔH_f, kcal/mol:	14.85
Dipole, Da:	7.7
IP(EA), eV:	-8.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-5-methylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC2NC(=C3C(=O)C=CS3)ON2

DOS

IR

Vibrations