Geometry & MOs

Info

ID:	171772
PubChem CID:	75425116
Reduced:	ClOSN4H15C18 (1)
Stoich.:	ABCD4E15F18 (1)
Weight, g/mol:	310.113984
ΔH_f, kcal/mol:	121.62
Dipole, Da:	3.55
IP(EA), eV:	-9.57(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NC(=CS2)CON3C4=C(C=CC(=C4)Cl)N=N3

DOS

IR

Vibrations