Geometry & MOs

Info

ID:	167819
PubChem CID:	74883139
Reduced:	NOSC5H6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	256.03402
ΔH_f, kcal/mol:	-19.5
Dipole, Da:	3.64
IP(EA), eV:	-8.96(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCN1C(=O)C2C(=NC1=S)C=CS2

DOS

IR

Vibrations