Geometry & MOs

Info

ID:	64430
PubChem CID:	29200556
Reduced:	N2S2O3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	336.006091
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	3.03
IP(EA), eV:	-8.83(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(2-oxopropylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)SC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1C

DOS

IR

Vibrations