Geometry & MOs

Info

ID:

187309

PubChem CID:

77557017

Reduced:

SN2Cl3O5H23C27 (1)

Stoich.:

AB2C3D5E23F27 (1)

Weight, g/mol:

427.144001

ΔHf, kcal/mol:

-145.77

Dipole, Da:

10.72

IP(EA), eV:

 -9.59(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

methyl 6-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxo-4aH-thieno[2,3-d]pyrimidin-1-ium-5-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl)S(=O)(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations