Geometry & MOs

Info

ID:	358568
PubChem CID:	127296257
Reduced:	NSO5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	366.124943
ΔH_f, kcal/mol:	-163.25
Dipole, Da:	3.29
IP(EA), eV:	-8.44(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfinyl)ethanone

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)S(=O)CC(=O)N3CCOCC3)OC1

DOS

IR

Vibrations