Geometry & MOs

Info

ID:

427529

PubChem CID:

135159623

Reduced:

FS2N4O4C21H23 (1)

Stoich.:

AB2C4D4E21F23 (1)

Weight, g/mol:

434.097953

ΔHf, kcal/mol:

-134.25

Dipole, Da:

4.2

IP(EA), eV:

 -9.06(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-(2-chloro-4-fluorophenyl)-5-(methylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2[C@@H](CCN2C(=N[C@H]1C3=C(C=C(C=C3)F)C)C4=NC=CS4)NS(=O)(=O)C

DOS

IR

Vibrations