Geometry & MOs

Info

ID:	158370
PubChem CID:	56463526
Reduced:	SCl2N2O4C18H18 (1)
Stoich.:	AB2C2D4E18F18 (1)
Weight, g/mol:	460.133794
ΔH_f, kcal/mol:	-144.01
Dipole, Da:	7.09
IP(EA), eV:	-9.57(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-ethylsulfonylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations