Geometry & MOs

Info

ID:	334859
PubChem CID:	127253665
Reduced:	NO3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	461.135363
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	4.78
IP(EA), eV:	-8.06(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=C(N=C(N1O)C2=CC3=C(C(=C2)OC)OCO3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations