Geometry & MOs

Info

ID:

299624

PubChem CID:

117688196

Reduced:

OF2N2C15H16 (1)

Stoich.:

AB2C2D15E16 (1)

Weight, g/mol:

577.231217

ΔHf, kcal/mol:

-83.74

Dipole, Da:

9.21

IP(EA), eV:

 -9.1(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@@](CCN1C2=CC(=C(C(=C2)F)C#N)F)(C3CC3)O

DOS

IR

Vibrations