Geometry & MOs

Info

ID:	168735
PubChem CID:	75011984
Reduced:	O6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	422.157682
ΔH_f, kcal/mol:	-226.36
Dipole, Da:	6.17
IP(EA), eV:	-9.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyloxy-6-formyl-11-hydroxy-3-methylidene-2-oxospiro[4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-10,2'-oxirane]-4-yl) 2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2C(C(CC3(CCC1(O3)O)C)OC(=O)C(=C)C)C(=C)C(=O)O2

DOS

IR

Vibrations