Geometry & MOs

Info

ID:	406991
PubChem CID:	135079083
Reduced:	SO3C18H18 (1)
Stoich.:	AB3C18D18 (1)
Weight, g/mol:	283.040006
ΔH_f, kcal/mol:	-83.86
Dipole, Da:	6.03
IP(EA), eV:	-8.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloroquinolin-4-yl) benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3CC2)C

DOS

IR

Vibrations