Geometry & MOs

Info

ID:

299670

PubChem CID:

117688451

Reduced:

FN5O5C26H30 (1)

Stoich.:

AB5C5D26E30 (1)

Weight, g/mol:

577.231217

ΔHf, kcal/mol:

-165.61

Dipole, Da:

4.83

IP(EA), eV:

 -9.04(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]-N-[(1S,2R,4R)-2-fluoro-4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=C(C=CC(=C3)F)OCC4CC4)OC(=O)NC5CCN(CC5)C(=O)COC

DOS

IR

Vibrations