Geometry & MOs

Info

ID:	64796
PubChem CID:	29204009
Reduced:	SN2O5C26H34 (1)
Stoich.:	AB2C5D26E34 (1)
Weight, g/mol:	385.144471
ΔH_f, kcal/mol:	-178.48
Dipole, Da:	8.6
IP(EA), eV:	-9.08(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylpiperidin-1-yl)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations