Geometry & MOs

Info

ID:	60053
PubChem CID:	26675622
Reduced:	FSN3O3H20C23 (1)
Stoich.:	ABC3D3E20F23 (1)
Weight, g/mol:	433.05081
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	0.82
IP(EA), eV:	-8.75(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2,3,4-trifluorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations