Geometry & MOs

Info

ID:

127250

PubChem CID:

50996459

Reduced:

F5N6O6H31C32 (1)

Stoich.:

A5B6C6D31E32 (1)

Weight, g/mol:

541.259114

ΔHf, kcal/mol:

-300.57

Dipole, Da:

2.32

IP(EA), eV:

 -9.28(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,6-trideuterio-5-[[4,5-dideuterio-6-(2,4,5,6-tetradeuteriopyridin-3-yl)pyrimidin-2-yl]amino]-4-methyl-N-[2,4,6-trideuterio-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)C2=NOC(=C2)C(C(=O)NCCOCCOCCO)N3C=C4C(=NC(=N4)C5=C(C(=CC=C5)F)F)C=N3)C(F)(F)F

DOS

IR

Vibrations