Geometry & MOs

Info

ID:

298604

PubChem CID:

117651717

Reduced:

FNOH7C11 (2)

Stoich.:

ABCD7E11 (2)

Weight, g/mol:

789.209608

ΔHf, kcal/mol:

-42.37

Dipole, Da:

3.56

IP(EA), eV:

 -8.11(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[2-[(2-aminoacetyl)amino]propanoyloxy]-3-[4-[2-amino-6-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3,5-dicyanopyridin-4-yl]phenoxy]propyl] (2S)-2-[(2-aminoacetyl)amino]propanoate

Drug info:

PubChemData

Smile

C1=CC2=COC(=C2C=C1)C3=CN4C(=N3)C=CC=C4C5=C(C(=C(C=C5)F)CO)F

DOS

IR

Vibrations