Geometry & MOs

Info

ID:

422082

PubChem CID:

135117155

Reduced:

N3O3C16H21 (1)

Stoich.:

A3B3C16D21 (1)

Weight, g/mol:

679.34936

ΔHf, kcal/mol:

-84.45

Dipole, Da:

6.29

IP(EA), eV:

 -8.54(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCNC(=O)C1=CN=C(C=C1)NCC(CC2=CC=CO2)CO

DOS

IR

Vibrations