Geometry & MOs

Info

ID:

83220

PubChem CID:

49857301

Reduced:

FNO3C17H22 (1)

Stoich.:

ABC3D17E22 (1)

Weight, g/mol:

598.276966

ΔHf, kcal/mol:

-183.11

Dipole, Da:

5.19

IP(EA), eV:

 -9.94(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chlorophenyl)-3-[[(1R)-2-(4-methylphenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC(=CC=C1)F)NC(=O)C2CCCCC2

DOS

IR

Vibrations