Geometry & MOs

Info

ID:	27274
PubChem CID:	820138
Reduced:	Cl2O3H8C9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	346.090662
ΔH_f, kcal/mol:	-117.37
Dipole, Da:	5.65
IP(EA), eV:	-10.15(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,7S)-7-(chloromethyl)-4,9-diphenyl-6-oxa-1-thia-4,9-diazaspiro[4.4]nonane

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C(=O)O)Cl

DOS

IR

Vibrations