Geometry & MOs

Info

ID:	178293
PubChem CID:	76309522
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	280.03402
ΔH_f, kcal/mol:	-130.24
Dipole, Da:	4.37
IP(EA), eV:	-9.41(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-5-methyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2OCCO)C(C)C)C

DOS

IR

Vibrations