Geometry & MOs

Info

ID:

299604

PubChem CID:

117688124

Reduced:

N5O8C27H35 (1)

Stoich.:

A5B8C27D35 (1)

Weight, g/mol:

525.238747

ΔHf, kcal/mol:

-271.1

Dipole, Da:

4.61

IP(EA), eV:

 -8.86(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-4-fluoro-5-methoxyphenyl]-N-[(3S)-1-(2-hydroxypropanoyl)piperidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC(CNC(=O)COC1CC(N(C1)OC(=O)OCC2=CC=CC=C2)CNC3=CC=CC=N3)C(=O)O

DOS

IR

Vibrations