Geometry & MOs

Info

ID:

299666

PubChem CID:

117688419

Reduced:

F2O3N5C27H31 (1)

Stoich.:

A2B3C5D27E31 (1)

Weight, g/mol:

551.274384

ΔHf, kcal/mol:

-156.51

Dipole, Da:

6.3

IP(EA), eV:

 -9.23(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl [4-[[4-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]piperidin-1-yl] carbonate

Drug info:

PubChemData

Smile

CCC(=O)N1CC[C@H]([C@H](C1)F)NC(=O)C2=CNC3=C2N=C(N=C3C4=C(C=CC(=C4F)C)OCC5CC5)C

DOS

IR

Vibrations