Geometry & MOs

Info

ID:	60056
PubChem CID:	26675625
Reduced:	FSN3O3H18C22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	439.100205
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	1.84
IP(EA), eV:	-8.89(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations