Geometry & MOs

Info

ID:	259263
PubChem CID:	103162306
Reduced:	ClNS2O3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-111.63
Dipole, Da:	8.74
IP(EA), eV:	-9.93(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(S1)S(=O)(=O)Cl)NC(=O)CC2CCC2

DOS

IR

Vibrations