Geometry & MOs

Info

ID:

299620

PubChem CID:

117688189

Reduced:

N3O4C16H19 (2)

Stoich.:

A3B4C16D19 (2)

Weight, g/mol:

577.231217

ΔHf, kcal/mol:

-223.12

Dipole, Da:

5.79

IP(EA), eV:

 -8.67(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC=C1C(=O)NC(CNC(=O)COC2CC(N(C2)OC(=O)OCC3=CC=CC=C3)CNC4=CC=CC=N4)C(=O)O

DOS

IR

Vibrations