Geometry & MOs

Info

ID:	60725
PubChem CID:	26697513
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	466.05619
ΔH_f, kcal/mol:	-199.98
Dipole, Da:	4.91
IP(EA), eV:	-9.42(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-cyclopentylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)NC2CCCC2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations