Geometry & MOs

Info

ID:

82383

PubChem CID:

49855965

Reduced:

BClO2C18H30 (1)

Stoich.:

ABC2D18E30 (1)

Weight, g/mol:

461.275291

ΔHf, kcal/mol:

-201.58

Dipole, Da:

3.36

IP(EA), eV:

 -10.07(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-2-(2-fluorophenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-N,N-bis(trimethylsilyl)ethanamine

Drug info:

PubChemData

Smile

B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@@H](CC4CCCCC4)Cl

DOS

IR

Vibrations