Geometry & MOs

Info

ID:

146405

PubChem CID:

53684284

Reduced:

ClO3H11C16 (1)

Stoich.:

AB3C11D16 (1)

Weight, g/mol:

563.293011

ΔHf, kcal/mol:

-60.01

Dipole, Da:

4.7

IP(EA), eV:

 -9.86(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-N-[(2R)-1-[[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)C(=O)O)Cl

DOS

IR

Vibrations