Geometry & MOs

Info

ID:	393347
PubChem CID:	135020222
Reduced:	N2O11C41H50 (1)
Stoich.:	A2B11C41D50 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	-358.52
Dipole, Da:	7.53
IP(EA), eV:	-8.9(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,9R)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](O1)[C@H]2[C@](O2)(C)C3=CC(=O)C4=C(O3)C5=C(C=C4C)C(=O)C6=C(C5=O)C(=C(C=C6C7CC(C(C(O7)C)O)N(C)C)C8CC(C(C(O8)C)O)(C)N(C)C)O

DOS

IR

Vibrations