Geometry & MOs

Info

ID:	33979
PubChem CID:	7889106
Reduced:	FS2N4H11C16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	396.074405
ΔH_f, kcal/mol:	91.45
Dipole, Da:	4.89
IP(EA), eV:	-8.93(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)SCC3=CSC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations