Geometry & MOs

Info

ID:	7662
PubChem CID:	73678
Reduced:	O7C19H22 (1)
Stoich.:	A7B19C22 (1)
Weight, g/mol:	362.136553
ΔH_f, kcal/mol:	-96.1
Dipole, Da:	6.75
IP(EA), eV:	-7.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S,4R,8R,13R,15S)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-methylprop-2-enoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=C)C(=O)O[C@H]1C[C@]23[C@H](O2)CCC(=C[C@@H]4[C@@H]1C(=C)C(=O)O4)CO[C@@H]3O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=C)C(=O)O[C@H]1C[C@]23[C@H](O2)CCC(=C[C@@H]4[C@@H]1C(=C)C(=O)O4)CO[C@@H]3O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):