Geometry & MOs

Info

ID:	60335
PubChem CID:	26683833
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	418.119858
ΔH_f, kcal/mol:	-160.51
Dipole, Da:	7.45
IP(EA), eV:	-9.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carbamoylphenyl) 3-(cyclopentylsulfamoyl)-4-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)S(=O)(=O)NC3CCCC3

DOS

IR

Vibrations