Geometry & MOs

Info

ID:

222873

PubChem CID:

85332831

Reduced:

NO7C33H47 (1)

Stoich.:

AB7C33D47 (1)

Weight, g/mol:

571.157777

ΔHf, kcal/mol:

-269.38

Dipole, Da:

8.95

IP(EA), eV:

 -9.01(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-(2-methoxyanilino)-2-oxoacetyl]amino]-3-methylbutanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

Drug info:

PubChemData

Smile

CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC5CN(CC(C(O5)C)OC)CC6=CC=C(O6)C

DOS

IR

Vibrations