Geometry & MOs

Info

ID:	155613
PubChem CID:	56366299
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	464.128504
ΔH_f, kcal/mol:	-129.37
Dipole, Da:	2.75
IP(EA), eV:	-9.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=NC=C2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations