Geometry & MOs

Info

ID:	28749
PubChem CID:	829353
Reduced:	NO2S2H7C12 (1)
Stoich.:	AB2C2D7E12 (1)
Weight, g/mol:	323.076219
ΔH_f, kcal/mol:	-4.37
Dipole, Da:	6.63
IP(EA), eV:	-9.47(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)O

DOS

IR

Vibrations