Geometry & MOs

Info

ID:

327619

PubChem CID:

126690533

Reduced:

FN2O3H17C20 (2)

Stoich.:

AB2C3D17E20 (2)

Weight, g/mol:

604.26857

ΔHf, kcal/mol:

-213.24

Dipole, Da:

14.28

IP(EA), eV:

 -8.9(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,2-dihydroxyethyl)-4-(3-methylbutanoylamino)-N-[[4-[5-[4-(4-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N=C(C3=CC=C(C=C3)CN(CC(=O)O)C(=O)C4=CC=C(C=C4)NC(=O)CC5=C(C=C(C=C5F)OC)F)N

DOS

IR

Vibrations