Geometry & MOs

Info

ID:	60057
PubChem CID:	26675626
Reduced:	FSN3O4H18C22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	404.060647
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	2.47
IP(EA), eV:	-8.94(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations