Geometry & MOs

Info

ID:	244662
PubChem CID:	99376306
Reduced:	ClN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	479.209007
ΔH_f, kcal/mol:	-159.43
Dipole, Da:	6.67
IP(EA), eV:	-8.59(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)CCCOC2=CC(=C(C=C2)Cl)C

DOS

IR

Vibrations