Geometry & MOs

Info

ID:

232722

PubChem CID:

87576814

Reduced:

SN3O4F5C25H26 (1)

Stoich.:

AB3C4D5E25F26 (1)

Weight, g/mol:

476.193881

ΔHf, kcal/mol:

-373.7

Dipole, Da:

3.55

IP(EA), eV:

 -8.66(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-amino-4-chloro-7-[[4-methoxy-3-methyl-5-(oxan-2-yloxymethyl)pyridin-2-yl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CNC3=C2C=C(C=C3C(=O)N)C4=CC=CC=C4)S(=O)(=O)CCOCC(C(F)(F)F)(F)F

DOS

IR

Vibrations