Geometry & MOs

Info

ID:	215224
PubChem CID:	85084392
Reduced:	NSiO7C46H57 (1)
Stoich.:	ABC7D46E57 (1)
Weight, g/mol:	764.252765
ΔH_f, kcal/mol:	-287.27
Dipole, Da:	4.2
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-diacetyloxy-2-[[10-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] 3-phenylprop-2-enoate

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

CCOC(=O)CCC=CCC1COC(OC1C2=CC=CC=C2O[Si](C)(C)C(C)(C)C)C3=CC4=C(C=C3)C=C(C=C4)C(=CCCCCC(=O)O)C5=CN=CC=C5

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

CCOC(=O)CCC=CCC1COC(OC1C2=CC=CC=C2O[Si](C)(C)C(C)(C)C)C3=CC4=C(C=C3)C=C(C=C4)C(=CCCCCC(=O)O)C5=CN=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):