Geometry & MOs

Info

ID:	155612
PubChem CID:	56366294
Reduced:	ClO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	3.44
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NCCC(=O)NCC2=CC=NC=C2)Cl)N3C=CC=C3

DOS

IR

Vibrations