Geometry & MOs

Info

ID:	218613
PubChem CID:	85089689
Reduced:	SiO7C26H32 (1)
Stoich.:	AB7C26D32 (1)
Weight, g/mol:	484.303618
ΔH_f, kcal/mol:	-224.13
Dipole, Da:	4.04
IP(EA), eV:	-8.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[7-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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)OC1=CC=CC2=C1C(=O)C34C=CC5(CCCC(C5C3(C2=O)O4)O[Si](C)(C)C(C)(C)C)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

CC(=O)OC1=CC=CC2=C1C(=O)C34C=CC5(CCCC(C5C3(C2=O)O4)O[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):