Geometry & MOs

Info

ID:	49619
PubChem CID:	11533379
Reduced:	ClSN4O5H19C23 (1)
Stoich.:	ABC4D5E19F23 (1)
Weight, g/mol:	499.134146
ΔH_f, kcal/mol:	-123.32
Dipole, Da:	4.99
IP(EA), eV:	-9.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=CSC(=N1)NC(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C(NC3=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations