Geometry & MOs

Info

ID:

82085

PubChem CID:

49855579

Reduced:

BFN2O4C16H24 (1)

Stoich.:

ABC2D4E16F24 (1)

Weight, g/mol:

550.276966

ΔHf, kcal/mol:

-304.16

Dipole, Da:

1.51

IP(EA), eV:

 -9.59(-0.29)

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]benzamide

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC(=CC=C1)F)NC(=O)C)(O)O

DOS

IR

Vibrations