Geometry & MOs

Info

ID:	178291
PubChem CID:	76309520
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	366.107185
ΔH_f, kcal/mol:	-110.34
Dipole, Da:	3.6
IP(EA), eV:	-9.25(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxy)-5-propan-2-yl-2-sulfanylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C(=O)NC1=O)OCCO)SC2=CC=CC=C2

DOS

IR

Vibrations