Geometry & MOs

Info

ID:	409925
PubChem CID:	135082712
Reduced:	BO3C23H35 (1)
Stoich.:	AB3C23D35 (1)
Weight, g/mol:	386.221759
ΔH_f, kcal/mol:	-216.72
Dipole, Da:	3.9
IP(EA), eV:	-9.08(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,8S)-4-[(1S)-1-chloro-3-heptylsulfanylpropyl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

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B1(O[C@H]([C@@H](O1)C2CCCCC2)C3CCCCC3)[C@@H](C)OCC4=CC=CC=C4

DOS

IR

Vibrations