Geometry & MOs

Info

ID:	84048
PubChem CID:	49863869
Reduced:	ClS2N4O4H13C19 (1)
Stoich.:	AB2C4D4E13F19 (1)
Weight, g/mol:	308.099477
ΔH_f, kcal/mol:	-31.24
Dipole, Da:	10.83
IP(EA), eV:	-9.14(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluoroethoxy)ethoxy]-3-[2-(1,3-thiazol-4-yl)ethynyl]cyclohex-2-en-1-imine

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl

DOS

IR

Vibrations