Geometry & MOs

Info

ID:	121823
PubChem CID:	50782732
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-96.2
Dipole, Da:	1.68
IP(EA), eV:	-8.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylpiperidin-1-yl)-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCCCN(C)C1=CC(=C(C=C1)NC(=O)CC2=CC=CS2)C(=O)O

DOS

IR

Vibrations