Geometry & MOs

Info

ID:

436788

PubChem CID:

135211506

Reduced:

Cl2O3N7H21C28 (1)

Stoich.:

A2B3C7D21E28 (1)

Weight, g/mol:

554.13684

ΔHf, kcal/mol:

57.23

Dipole, Da:

7.86

IP(EA), eV:

 -9.22(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-4-methoxybutanoyl]amino]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC2=C(C=C1)N=C(C=C2)C#N)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl)OC

DOS

IR

Vibrations