Geometry & MOs

Info

ID:	358567
PubChem CID:	127296256
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	325.098394
ΔH_f, kcal/mol:	-171.61
Dipole, Da:	9.94
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfinyl)-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)CS(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations