Geometry & MOs

Info

ID:	155113
PubChem CID:	56320704
Reduced:	ClN4O4C22H23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-86.3
Dipole, Da:	0.64
IP(EA), eV:	-9.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[3-[(3-hydroxybenzoyl)amino]propyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(=O)NCCCNC(=O)CCCC2=NC(=NO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations