Geometry & MOs

Info

ID:	393818
PubChem CID:	135021780
Reduced:	SiO4C18H32 (1)
Stoich.:	AB4C18D32 (1)
Weight, g/mol:	454.275066
ΔH_f, kcal/mol:	-240.73
Dipole, Da:	3.6
IP(EA), eV:	-8.85(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4E,6R,7R,8S,9R,13R)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-13-methoxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.01,9]tridec-4-en-2-yl] acetate

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

CC1(C[C@H]2[C@@]1(OC(=O)[C@@H]2[C@H](CO)O[Si](C)(C)C(C)(C)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

CC1(C[C@H]2[C@@]1(OC(=O)[C@@H]2[C@H](CO)O[Si](C)(C)C(C)(C)C)C=C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):