Geometry & MOs

Info

ID:	382632
PubChem CID:	134973904
Reduced:	SiO6C33H38 (1)
Stoich.:	AB6C33D38 (1)
Weight, g/mol:	622.296195
ΔH_f, kcal/mol:	-214.99
Dipole, Da:	5.26
IP(EA), eV:	-8.92(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R,7S)-6-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-9-(dimethoxymethyl)-4-methoxy-7-(methoxymethoxy)-1-oxaspiro[4.5]deca-3,8-dien-2-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

C/C(=C\[C@@H]1C=C/C(=C/OC(=O)C)/C[C@@]12C(=CC(=O)O2)OC)/CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(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(=C\[C@@H]1C=C/C(=C/OC(=O)C)/C[C@@]12C(=CC(=O)O2)OC)/CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):