Geometry & MOs

Info

ID:

320343

PubChem CID:

126659583

Reduced:

FN2O4H27C28 (1)

Stoich.:

AB2C4D27E28 (1)

Weight, g/mol:

573.229742

ΔHf, kcal/mol:

-148.66

Dipole, Da:

8.55

IP(EA), eV:

 -8.73(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-[4-[1-hydroxy-2-(2-phenylethoxy)ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]-N'-methoxysulfanyl-N'-methylcyclopropane-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1CCCO2)C3=C4C=CN(C4=NC(=C3CC(=O)O)C)CC5=C(C=CC=C5F)OC

DOS

IR

Vibrations