Geometry & MOs

Info

ID:	85549
PubChem CID:	49876765
Reduced:	SCl2N3O5C24H26 (1)
Stoich.:	AB2C3D5E24F26 (1)
Weight, g/mol:	423.114531
ΔH_f, kcal/mol:	-82.73
Dipole, Da:	5.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.988638
Charge, e:	-1

Chem-info

IUPAC name:

(1-methylpiperidin-3-yl) 4-[methyl(phenyl)sulfamoyl]benzoate;chloride

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CNCCC3=CC(=C(C=C3)O)O)Cl.[Cl-]

DOS

IR

Vibrations