Geometry & MOs

Info

ID:	121409
PubChem CID:	50767050
Reduced:	FSN3O4C23H28 (1)
Stoich.:	ABC3D4E23F28 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-162.26
Dipole, Da:	11.24
IP(EA), eV:	-8.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methylphenyl)sulfonylamino]-4-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC(=C4)F

DOS

IR

Vibrations