Geometry & MOs

Info

ID:	403401
PubChem CID:	135060069
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	356.111602
ΔH_f, kcal/mol:	-51.64
Dipole, Da:	2.55
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-7-(2-hydroxyethyl)-9-(phenylmethoxymethyl)-8-oxa-1,4-dithiaspiro[4.5]decan-7-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C3=CC=CC=C3N2C(=O)OC(C)(C)C

DOS

IR

Vibrations