Geometry & MOs

Info

ID:	188598
PubChem CID:	77740041
Reduced:	ClNSO6H34C37 (1)
Stoich.:	ABCD6E34F37 (1)
Weight, g/mol:	463.194106
ΔH_f, kcal/mol:	-135.92
Dipole, Da:	5.25
IP(EA), eV:	-9.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[1-(4-fluoro-2-methoxyphenyl)ethylamino]cyclopentyl]-N-(2-sulfamoylethyl)benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCCN(CC4=CC=CC=C4)CC(C5=CC(=CC=C5)Cl)O

DOS

IR

Vibrations