Geometry & MOs

Info

ID:	181709
PubChem CID:	76781867
Reduced:	FNO5C12H12 (1)
Stoich.:	ABC5D12E12 (1)
Weight, g/mol:	458.142405
ΔH_f, kcal/mol:	-159.66
Dipole, Da:	6.07
IP(EA), eV:	-10.04(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-[acetyl(methyl)amino]cyclopentyl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CC2C1OCO2)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations