Geometry & MOs

Info

ID:	410151
PubChem CID:	135082942
Reduced:	BC28H47 (1)
Stoich.:	AB28C47 (1)
Weight, g/mol:	904.472573
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	0.36
IP(EA), eV:	-9.13(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]methyl]but-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

B([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)C/5CCCCC/C=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

B([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)C/5CCCCC/C=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):