Geometry & MOs

Info

ID:	360653
PubChem CID:	127301298
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-2.26
Dipole, Da:	9.46
IP(EA), eV:	-9.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-imidazol-1-ylpiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=CN=C2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations