Geometry & MOs

Info

ID:	378602
PubChem CID:	134224694
Reduced:	OSN3C9H13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	418.120796
ΔH_f, kcal/mol:	-9.56
Dipole, Da:	4.85
IP(EA), eV:	-8.38(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(2-methoxyethylamino)pyrimidin-4-yl]pyridin-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)NN=C2SC

DOS

IR

Vibrations