Geometry & MOs

Info

ID:	16795
PubChem CID:	476906
Reduced:	O2C15H22 (2)
Stoich.:	A2B15C22 (2)
Weight, g/mol:	468.32396
ΔH_f, kcal/mol:	-167.0
Dipole, Da:	7.56
IP(EA), eV:	-9.23(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S,7R,8S,9S,13R,18R,19R)-19-hydroxy-2,9,13,17,17-pentamethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-6,16-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

CC(=CCC[C@@H]1[C@@H]2[C@H](C[C@]3([C@]2(CCC4C3=C[C@H]([C@@H]5[C@@]4(CCC(=O)C5(C)C)C)O)C)C)OC1=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(=CCC[C@@H]1[C@@H]2[C@H](C[C@]3([C@]2(CCC4C3=C[C@H]([C@@H]5[C@@]4(CCC(=O)C5(C)C)C)O)C)C)OC1=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):