Geometry & MOs

Info

ID:

448145

PubChem CID:

135288791

Reduced:

NC3H3 (10)

Stoich.:

AB3C3 (10)

Weight, g/mol:

560.124277

ΔHf, kcal/mol:

234.44

Dipole, Da:

5.98

IP(EA), eV:

 -8.12(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CC(=C6)CNCC7=CC=CC=C7)NN4)/N=C32

DOS

IR

Vibrations