Geometry & MOs

Info

ID:	424239
PubChem CID:	135121873
Reduced:	N3O4C5H7 (1)
Stoich.:	A3B4C5D7 (1)
Weight, g/mol:	404.183503
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	11.36
IP(EA), eV:	-9.2(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6E)-10-(acetyloxymethyl)-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate

Drug info:

PubChemData

Smile

C([C@@H](C(=O)[O-])N)O/C(=C\[N+]#N)/O

DOS

IR

Vibrations