Geometry & MOs

Info

ID:	167022
PubChem CID:	74768134
Reduced:	OSF3N3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	391.021597
ΔH_f, kcal/mol:	-142.06
Dipole, Da:	8.52
IP(EA), eV:	-8.92(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

DOS

IR

Vibrations