Geometry & MOs

Info

ID:

312069

PubChem CID:

126602355

Reduced:

O2N3F5H16C21 (1)

Stoich.:

A2B3C5D16E21 (1)

Weight, g/mol:

583.16428

ΔHf, kcal/mol:

-235.44

Dipole, Da:

4.16

IP(EA), eV:

 -9.07(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-(6-aminopyridin-3-yl)-N-[[2-[4-[4-(3,3-difluoroazetidine-1-carbonyl)phenyl]-2-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=CN=C(C=C2)C3=CC(=C(C=C3)C4=CC=C(O4)CN)C(F)(F)F)(F)F

DOS

IR

Vibrations