Geometry & MOs

Info

ID:

420798

PubChem CID:

135114824

Reduced:

NO3F4C18H23 (1)

Stoich.:

AB3C4D18E23 (1)

Weight, g/mol:

737.401316

ΔHf, kcal/mol:

-344.74

Dipole, Da:

5.27

IP(EA), eV:

 -9.04(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=C(C=C(C=C3)C(F)(F)F)F)O

DOS

IR

Vibrations