Geometry & MOs

Info

ID:	155609
PubChem CID:	56366263
Reduced:	SCl2O2N4C23H26 (1)
Stoich.:	AB2C2D4E23F26 (1)
Weight, g/mol:	450.112854
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	1.79
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations