Geometry & MOs

Info

ID:	236830
PubChem CID:	92714863
Reduced:	SN3O4C22H31 (1)
Stoich.:	AB3C4D22E31 (1)
Weight, g/mol:	499.177707
ΔH_f, kcal/mol:	-181.3
Dipole, Da:	8.9
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(1,3-benzodioxol-5-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCC[C@@H](C3)C(=O)NC4CCCC4

DOS

IR

Vibrations