Geometry & MOs

Info

ID:

436607

PubChem CID:

135206033

Reduced:

Cl2N4O6H24C27 (1)

Stoich.:

A2B4C6D24E27 (1)

Weight, g/mol:

595.208528

ΔHf, kcal/mol:

-152.65

Dipole, Da:

5.08

IP(EA), eV:

 -9.26(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-4-methoxybutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

COCCC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)N4C=C(N=C4)Cl)OC

DOS

IR

Vibrations