Geometry & MOs

Info

ID:

448142

PubChem CID:

135288762

Reduced:

BrCl2O3N7H18C28 (1)

Stoich.:

AB2C3D7E18F28 (1)

Weight, g/mol:

585.119526

ΔHf, kcal/mol:

97.79

Dipole, Da:

5.05

IP(EA), eV:

 -9.69(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-amino-1H-indazol-5-yl)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=NOC3=C2C=CC(=C3)Br)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations