Geometry & MOs

Info

ID:	60338
PubChem CID:	26683839
Reduced:	ClSN3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	494.151158
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	10.42
IP(EA), eV:	-9.46(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 3-(cyclopentylsulfamoyl)-4-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)NC3CCCC3

DOS

IR

Vibrations