Geometry & MOs

Info

ID:	155156
PubChem CID:	56320854
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	485.198442
ΔH_f, kcal/mol:	-105.09
Dipole, Da:	4.82
IP(EA), eV:	-9.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[3-[(3-hydroxybenzoyl)amino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations