Geometry & MOs

Info

ID:	193171
PubChem CID:	78353000
Reduced:	SN2O6H28C31 (1)
Stoich.:	AB2C6D28E31 (1)
Weight, g/mol:	318.04967
ΔH_f, kcal/mol:	-123.36
Dipole, Da:	5.52
IP(EA), eV:	-8.84(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4CCCCC4C3=O)C5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)OCC=C

DOS

IR

Vibrations