Geometry & MOs

Info

ID:

81948

PubChem CID:

49855384

Reduced:

FNO3C16H20 (1)

Stoich.:

ABC3D16E20 (1)

Weight, g/mol:

540.353466

ΔHf, kcal/mol:

-184.83

Dipole, Da:

6.07

IP(EA), eV:

 -10.07(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-fluorophenyl)-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]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)F

DOS

IR

Vibrations