Geometry & MOs

Info

ID:	129026
PubChem CID:	51066983
Reduced:	OCl2N4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	423.086447
ΔH_f, kcal/mol:	28.92
Dipole, Da:	4.65
IP(EA), eV:	-9.07(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-2-ylidene]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NCC1=CC=CC=N1)N2C3=CC=CC=C3N=C2CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations