Geometry & MOs

Info

ID:	307930
PubChem CID:	125310782
Reduced:	NS2O11C20H31 (1)
Stoich.:	AB2C11D20E31 (1)
Weight, g/mol:	556.179206
ΔH_f, kcal/mol:	-456.88
Dipole, Da:	4.16
IP(EA), eV:	-8.5(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4S,5S,6R)-6-[[(1S,4aS,5S,7aS)-5-acetyloxy-7-(acetyloxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl 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

CC(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)S/C(=N\O)/CCCC[S@@](=O)C)OC(=O)C)OC(=O)C)OC(=O)C

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(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)S/C(=N\O)/CCCC[S@@](=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):