Geometry & MOs

Info

ID:	127087
PubChem CID:	50990415
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	480.308704
ΔH_f, kcal/mol:	-156.85
Dipole, Da:	2.58
IP(EA), eV:	-10.35(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,5R,7R,9R,13R,14S,15R,16S,18S,19R,20R)-5,14,15,16,19,20-hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one

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

C1[C@@H]2[C@@H]3[C@H](C1O)C(=O)[C@H]4C3[C@@H](C2=O)C(C4)O

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

C1[C@@H]2[C@@H]3[C@H](C1O)C(=O)[C@H]4C3[C@@H](C2=O)C(C4)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):