Geometry & MOs

Info

ID:	409480
PubChem CID:	135082262
Reduced:	BSiC15H25 (2)
Stoich.:	ABC15D25 (2)
Weight, g/mol:	735.44589
ΔH_f, kcal/mol:	-123.77
Dipole, Da:	0.12
IP(EA), eV:	-8.0(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-[(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]-5-methyl-3-[(1R)-1-phenylmethoxy-2-trityloxyethyl]hex-5-enenitrile

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

B12CC3CC4CC(C3)CC1(C4)[C@@]5(B6CC7CC8CC(C7)CC6(C8)[C@@]2(C=C5)[Si](C)(C)C)[Si](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

B12CC3CC4CC(C3)CC1(C4)[C@@]5(B6CC7CC8CC(C7)CC6(C8)[C@@]2(C=C5)[Si](C)(C)C)[Si](C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):