Geometry & MOs

Info

ID:

82220

PubChem CID:

49855772

Reduced:

BFN2O4C21H32 (1)

Stoich.:

ABC2D4E21F32 (1)

Weight, g/mol:

561.301016

ΔHf, kcal/mol:

-323.43

Dipole, Da:

1.06

IP(EA), eV:

 -9.7(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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]-1-(4-nitrophenyl)-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC(=CC=C1)F)NC(=O)C2CCCCC2)(O)O

DOS

IR

Vibrations