Geometry & MOs

Info

ID:	42689
PubChem CID:	8149869
Reduced:	FN4C21H33 (1)
Stoich.:	AB4C21D33 (1)
Weight, g/mol:	399.060839
ΔH_f, kcal/mol:	-24.27
Dipole, Da:	2.56
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-2-[(3-fluoro-4-methylanilino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCC[C@H](C)NCC1=C(N(N=C1C)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations