Geometry & MOs

Info

ID:	167818
PubChem CID:	74883040
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	256.03402
ΔH_f, kcal/mol:	-50.87
Dipole, Da:	11.86
IP(EA), eV:	-8.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyethyl)-2-sulfanylidene-4aH-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)C2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations