Geometry & MOs

Info

ID:	64794
PubChem CID:	29204007
Reduced:	N2O3C24H24 (1)
Stoich.:	A2B3C24D24 (1)
Weight, g/mol:	486.218843
ΔH_f, kcal/mol:	-56.02
Dipole, Da:	4.21
IP(EA), eV:	-9.4(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations