Geometry & MOs

Info

ID:	79344
PubChem CID:	49748158
Reduced:	SN2O6C26H32 (1)
Stoich.:	AB2C6D26E32 (1)
Weight, g/mol:	418.1021
ΔH_f, kcal/mol:	-205.63
Dipole, Da:	8.28
IP(EA), eV:	-8.67(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2(CCOCC2)C(=O)N3CCC4(CC3)N(CCO4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations