Geometry & MOs

Info

ID:

299644

PubChem CID:

117688257

Reduced:

N5O6C25H29 (1)

Stoich.:

A5B6C25D29 (1)

Weight, g/mol:

513.218761

ΔHf, kcal/mol:

-178.52

Dipole, Da:

11.52

IP(EA), eV:

 -9.25(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(1R,2R,4R)-2-fluoro-4-[[(2S)-2-hydroxypropanoyl]amino]cyclopentyl]-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)OC)OCC4CC4)C(=O)NC5CCN(CC5O)C(=O)O

DOS

IR

Vibrations