Geometry & MOs

Info

ID:

82539

PubChem CID:

49856154

Reduced:

BFNO2C18H25 (1)

Stoich.:

ABCD2E18F25 (1)

Weight, g/mol:

551.272215

ΔHf, kcal/mol:

-188.65

Dipole, Da:

5.34

IP(EA), eV:

 -9.12(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)-3-[[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]amino]-3-oxopropyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@@H](CC4=CC(=CC=C4)F)N

DOS

IR

Vibrations