Geometry & MOs

Info

ID:	7649
PubChem CID:	73626
Reduced:	O3C13H17 (2)
Stoich.:	A3B13C17 (2)
Weight, g/mol:	442.235539
ΔH_f, kcal/mol:	-224.05
Dipole, Da:	5.78
IP(EA), eV:	-9.61(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,15-dione

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@]12CCC(=O)C([C@@H]1C[C@H]([C@@]3([C@@H]2CC[C@@]4([C@]35[C@H](O5)C(=O)O[C@H]4C6=COC=C6)C)C)O)(C)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

C[C@]12CCC(=O)C([C@@H]1C[C@H]([C@@]3([C@@H]2CC[C@@]4([C@]35[C@H](O5)C(=O)O[C@H]4C6=COC=C6)C)C)O)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):