Geometry & MOs

Info

ID:

419726

PubChem CID:

135108909

Reduced:

ClFN4O4C20H22 (1)

Stoich.:

ABC4D4E20F22 (1)

Weight, g/mol:

686.379183

ΔHf, kcal/mol:

-140.73

Dipole, Da:

7.62

IP(EA), eV:

 -9.45(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CC3(CCN(CC3)C(=O)C4=C(C=CC=C4Cl)F)OCCC2=O

DOS

IR

Vibrations