Geometry & MOs

Info

ID:

378279

PubChem CID:

134224355

Reduced:

O6N8C47H56 (1)

Stoich.:

A6B8C47D56 (1)

Weight, g/mol:

556.248584

ΔHf, kcal/mol:

-173.21

Dipole, Da:

4.2

IP(EA), eV:

 -9.36(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N,9-dimethyl-6-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-7-propyloxonine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)OCC(CC)CCCC)NC5=CC=C(C=C5)C(=O)N

DOS

IR

Vibrations