Geometry & MOs

Info

ID:	60054
PubChem CID:	26675623
Reduced:	SO2N3F4H11C20 (1)
Stoich.:	AB2C3D4E11F20 (1)
Weight, g/mol:	421.126026
ΔH_f, kcal/mol:	-165.95
Dipole, Da:	3.84
IP(EA), eV:	-9.36(-1.6)
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-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC3=C2C(=O)N(C=N3)CC(=O)NC4=C(C(=C(C=C4)F)F)F)F

DOS

IR

Vibrations