Geometry & MOs

Info

ID:	140373
PubChem CID:	52687693
Reduced:	FO3N5H18C22 (1)
Stoich.:	AB3C5D18E22 (1)
Weight, g/mol:	392.110711
ΔH_f, kcal/mol:	-0.89
Dipole, Da:	6.85
IP(EA), eV:	-8.92(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[4-[(1S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)F)NC3=C(N4C=CC=CC4=N3)[N+](=O)[O-]

DOS

IR

Vibrations