Geometry & MOs

Info

ID:

436567

PubChem CID:

135205467

Reduced:

Cl2O3N7H23C26 (1)

Stoich.:

A2B3C7D23E26 (1)

Weight, g/mol:

623.119474

ΔHf, kcal/mol:

33.74

Dipole, Da:

7.91

IP(EA), eV:

 -8.43(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC2=CN(N=C2C=C1)C)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl)OC

DOS

IR

Vibrations