Geometry & MOs

Info

ID:

187307

PubChem CID:

77556803

Reduced:

Cl2N2O3H28C29 (1)

Stoich.:

A2B2C3D28E29 (1)

Weight, g/mol:

430.142324

ΔHf, kcal/mol:

-73.27

Dipole, Da:

7.22

IP(EA), eV:

 -8.7(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-6-[[2-(methylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-2,4-dioxo-1-propyl-4a,7a-dihydrothieno[2,3-d]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCC(=CC2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations