Geometry & MOs

Info

ID:

315659

PubChem CID:

126628371

Reduced:

N3O5H17C18 (1)

Stoich.:

A3B5C17D18 (1)

Weight, g/mol:

798.264086

ΔHf, kcal/mol:

-149.31

Dipole, Da:

4.97

IP(EA), eV:

 -9.44(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]but-3-ynyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C#CCCOC(=O)NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O

DOS

IR

Vibrations