Geometry & MOs

Info

ID:	194943
PubChem CID:	78611221
Reduced:	ClON2F3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	354.103814
ΔH_f, kcal/mol:	-155.65
Dipole, Da:	4.16
IP(EA), eV:	-8.9(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)CNC(=O)C=CC2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations