Geometry & MOs

Info

ID:	139740
PubChem CID:	52587401
Reduced:	FNOSC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	355.180387
ΔH_f, kcal/mol:	-46.45
Dipole, Da:	1.53
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[1-(2-methylpropyl)piperidin-1-ium-4-yl]-3-(3-sulfamoylphenyl)urea

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CNC[C@@H](C2=CC=C(C=C2)F)O

DOS

IR

Vibrations