Geometry & MOs

Info

ID:	167820
PubChem CID:	74883140
Reduced:	NOSC5H6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	310.08097
ΔH_f, kcal/mol:	-19.74
Dipole, Da:	4.56
IP(EA), eV:	-8.95(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyethyl)-2-sulfanylidene-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOCCN1C(=O)C2C=CSC2=NC1=S

DOS

IR

Vibrations