Geometry & MOs

Info

ID:	215077
PubChem CID:	85084109
Reduced:	SiBr2O4C33H42 (1)
Stoich.:	AB2C4D33E42 (1)
Weight, g/mol:	690.267627
ΔH_f, kcal/mol:	-179.11
Dipole, Da:	6.34
IP(EA), eV:	-9.19(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-diacetyloxy-8-benzoyloxy-12-ethenyl-2-hydroxy-5,5,9,13-tetramethyl-14-oxo-15,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadecan-11-yl) benzoate

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(CC(C)C(C=C(Br)Br)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)C=C(C)C3=CC(=O)OC(O3)(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

CC(CC(C)C(C=C(Br)Br)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)C=C(C)C3=CC(=O)OC(O3)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):