Geometry & MOs

Info

ID:

232252

PubChem CID:

87575813

Reduced:

SN2O4H22C28 (1)

Stoich.:

AB2C4D22E28 (1)

Weight, g/mol:

487.209866

ΔHf, kcal/mol:

-79.26

Dipole, Da:

11.41

IP(EA), eV:

 -8.84(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)C(=C(N2)/C=C/3\C4=C(C=C(C=C4)C5=CC6=CC=CC=C6S5)NC3=O)CCC(=O)O

DOS

IR

Vibrations