Geometry & MOs

Info

ID:	12874
PubChem CID:	147407
Reduced:	O8C17H24 (1)
Stoich.:	A8B17C24 (1)
Weight, g/mol:	356.147118
ΔH_f, kcal/mol:	-311.15
Dipole, Da:	3.78
IP(EA), eV:	-10.01(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3S,5S,7R,9S,10R,11S,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodecane-12,2'-oxirane]-11-yl] acetate

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

C[C@H]1C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO

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

C[C@H]1C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):