Geometry & MOs

Info

ID:	441571
PubChem CID:	135236361
Reduced:	SO5N6H28C29 (1)
Stoich.:	AB5C6D28E29 (1)
Weight, g/mol:	194.051384
ΔH_f, kcal/mol:	-91.84
Dipole, Da:	3.29
IP(EA), eV:	-9.15(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,7-trimethyl-3H-thieno[3,2-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC3=C(C(=O)N2CC4=CC=CC=C4C#N)SC=C3C(=O)NC(CC5=CC=C(C=C5)O)C(=O)O)N

DOS

IR

Vibrations