Geometry & MOs

Info

ID:	424245
PubChem CID:	135121881
Reduced:	O7C20H26 (1)
Stoich.:	A7B20C26 (1)
Weight, g/mol:	392.183503
ΔH_f, kcal/mol:	-264.31
Dipole, Da:	5.79
IP(EA), eV:	-10.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1C2C(C=C(CC/C=C(\C1O)/C=O)CO)OC(=O)C2=C

DOS

IR

Vibrations