Geometry & MOs

Info

ID:

83524

PubChem CID:

49857698

Reduced:

FN2O3H13C15 (1)

Stoich.:

AB2C3D13E15 (1)

Weight, g/mol:

599.29668

ΔHf, kcal/mol:

-122.27

Dipole, Da:

6.09

IP(EA), eV:

 -10.13(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)NC(CC(=O)O)C2=CC=C(C=C2)F

DOS

IR

Vibrations