Geometry & MOs

Info

ID:

49686

PubChem CID:

11533550

Reduced:

O11C25H32 (1)

Stoich.:

A11B25C32 (1)

Weight, g/mol:

508.152889

ΔHf, kcal/mol:

-461.3

Dipole, Da:

2.4

IP(EA), eV:

 -8.95(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[(Z)-C-(1,3-benzodioxol-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]carbonimidoyl]-N-cyclopropylthieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O)OC3=CC(=CC(=C3)O)CCC4=CC=C(C=C4)O)O)O)O)O

DOS

IR

Vibrations