Geometry & MOs

Info

ID:

232938

PubChem CID:

87577748

Reduced:

O2C20H37 (2)

Stoich.:

A2B20C37 (2)

Weight, g/mol:

435.186497

ΔHf, kcal/mol:

-203.1

Dipole, Da:

3.92

IP(EA), eV:

 -8.86(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(OOC(CCCC/C=C\CCCCCCC/C=C/CO)CCC)CCCC/C=C\CCCCCCC/C=C/CO

DOS

IR

Vibrations