Geometry & MOs

Info

ID:

427532

PubChem CID:

135159626

Reduced:

FS2N4O4C26H29 (1)

Stoich.:

AB2C4D4E26F29 (1)

Weight, g/mol:

510.01951

ΔHf, kcal/mol:

-79.7

Dipole, Da:

7.8

IP(EA), eV:

 -8.91(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C)[C@H]1C(=C2C[C@@H](CN2C(=N1)CS/C=C\N=C)NS(=O)(=O)C3=CC=CC=C3)C(=O)OC)/F

DOS

IR

Vibrations