Geometry & MOs

Info

ID:	310452
PubChem CID:	126580477
Reduced:	ClN2O2H7C11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	294.183109
ΔH_f, kcal/mol:	34.38
Dipole, Da:	4.15
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7S,8S)-7-methoxy-4-methyl-8-[(2R,3R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-4-en-6-one

Drug info:

PubChemData

Smile

CN1C=CC2=C(C(=CN=C21)C(=O)C#CO)Cl

DOS

IR

Vibrations