Geometry & MOs

Info

ID:

448137

PubChem CID:

135288711

Reduced:

Cl3O3N7H18C28 (1)

Stoich.:

A3B3C7D18E28 (1)

Weight, g/mol:

585.108293

ΔHf, kcal/mol:

88.76

Dipole, Da:

6.55

IP(EA), eV:

 -9.34(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=NOC3=C2C=CC=C3Cl)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations