Geometry & MOs

Info

ID:	178041
PubChem CID:	76267590
Reduced:	F3O4N6C22H31 (1)
Stoich.:	A3B4C6D22E31 (1)
Weight, g/mol:	459.057503
ΔH_f, kcal/mol:	-292.69
Dipole, Da:	8.39
IP(EA), eV:	-9.88(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2C(=O)C(=CC(=N2)C3CC3)C(F)(F)F)N

DOS

IR

Vibrations