Geometry & MOs

Info

ID:

441362

PubChem CID:

135234340

Reduced:

Cl3N3O5H26C29 (1)

Stoich.:

A3B3C5D26E29 (1)

Weight, g/mol:

600.098555

ΔHf, kcal/mol:

-80.15

Dipole, Da:

6.62

IP(EA), eV:

 -8.93(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]ethyl-(2-hydroxyethyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)CCN(CCO)C5=CN=CC(=C5)C(=O)O)Cl

DOS

IR

Vibrations