Geometry & MOs

Info

ID:	176008
PubChem CID:	75981440
Reduced:	SN2O3H16C23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	335.098
ΔH_f, kcal/mol:	11.43
Dipole, Da:	4.09
IP(EA), eV:	-9.09(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzothiazol-2-yl)phenyl] cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)OC1=CC=CC=C1C2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)C#N

DOS

IR

Vibrations