Geometry & MOs

Info

ID:

179900

PubChem CID:

76552371

Reduced:

O5N7C26H33 (1)

Stoich.:

A5B7C26D33 (1)

Weight, g/mol:

583.244227

ΔHf, kcal/mol:

-137.0

Dipole, Da:

10.3

IP(EA), eV:

 -9.07(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenoxy]carbonyloxypropyl 2-amino-3-methylpentanoate

Drug info:

PubChemData

Smile

CC(=CCN1C2C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=C5C(=CC=C4)OC(=O)N5C)C)C

DOS

IR

Vibrations