Geometry & MOs

Info

ID:	889
PubChem CID:	3488
Reduced:	ClSN3O5C23H28 (1)
Stoich.:	ABC3D5E23F28 (1)
Weight, g/mol:	493.14382
ΔH_f, kcal/mol:	-196.04
Dipole, Da:	6.96
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3

DOS

IR

Vibrations