Geometry & MOs

Info

ID:	26484
PubChem CID:	650033
Reduced:	SN4O4C19H22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-121.62
Dipole, Da:	4.31
IP(EA), eV:	-8.87(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-ethyl-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]methanol

Drug info:

PubChemData

Smile

CCCN1C2=C(N=C1SCC(=O)OCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations