Geometry & MOs

Info

ID:	60333
PubChem CID:	26683829
Reduced:	SN2O6C21H22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	426.124943
ΔH_f, kcal/mol:	-165.52
Dipole, Da:	9.38
IP(EA), eV:	-9.09(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

quinolin-8-yl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C#N)OC)S(=O)(=O)NC3CCCC3

DOS

IR

Vibrations