Geometry & MOs

Info

ID:

187155

PubChem CID:

77536671

Reduced:

N2F3O4H15C19 (1)

Stoich.:

A2B3C4D15E19 (1)

Weight, g/mol:

652.283175

ΔHf, kcal/mol:

-273.49

Dipole, Da:

4.14

IP(EA), eV:

 -9.82(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[3-hydroxy-4-[methyl-(5-propan-2-ylpyridin-3-yl)amino]-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(1,3-oxazol-5-yl)benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(CN2C(=O)C3=CC=CC=C3C2=O)NC(=O)O)C(F)(F)F

DOS

IR

Vibrations