Geometry & MOs

Info

ID:

449138

PubChem CID:

135296278

Reduced:

O2F3N5H22C26 (1)

Stoich.:

A2B3C5D22E26 (1)

Weight, g/mol:

482.231791

ΔHf, kcal/mol:

-89.18

Dipole, Da:

5.5

IP(EA), eV:

 -8.72(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (10S,14R,15R)-4-(6-methoxypyridin-3-yl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene-12-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C=N2)C3=CC4=C(C=C3F)N=C5N4[C@H](C6[C@H]5C6)C7=CC=CC=C7OC(F)F

DOS

IR

Vibrations