Geometry & MOs

Info

ID:

320349

PubChem CID:

126659637

Reduced:

F2N2O3H22C26 (1)

Stoich.:

A2B2C3D22E26 (1)

Weight, g/mol:

568.162386

ΔHf, kcal/mol:

-144.09

Dipole, Da:

3.03

IP(EA), eV:

 -8.9(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethoxycarbonyloxymethyl 3-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]amino]-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=CN(C2=N1)CC3=C(C(=CC=C3)F)F)C4=CC5=C(C=C4)OCCC5)CC(=O)O

DOS

IR

Vibrations