Geometry & MOs

Info

ID:	156730
PubChem CID:	56373957
Reduced:	ClSN2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	410.037306
ΔH_f, kcal/mol:	-160.61
Dipole, Da:	7.83
IP(EA), eV:	-8.76(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-[(1-methylsulfonylpiperidin-4-yl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCCC3=O)Cl

DOS

IR

Vibrations