Geometry & MOs

Info

ID:	181710
PubChem CID:	76781868
Reduced:	FSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	417.115855
ΔH_f, kcal/mol:	-157.55
Dipole, Da:	7.58
IP(EA), eV:	-8.81(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-fluoro-2-(2-hydroxycyclopentyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C=C3)F)OC4CCC(C4)N(C)C(=O)C)C(=O)O

DOS

IR

Vibrations