Geometry & MOs

Info

ID:

186724

PubChem CID:

77473495

Reduced:

N2O2C11H16 (3)

Stoich.:

A2B2C11D16 (3)

Weight, g/mol:

614.27405

ΔHf, kcal/mol:

-246.07

Dipole, Da:

3.35

IP(EA), eV:

 -9.41(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[[[3-[2-[(2-benzamido-3-phenylpropanoyl)amino]propanoylamino]-4-methyl-2-oxopentanoyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(=O)NC1CCCCC1)NC(=O)C(C)NC(=O)C(C(C)(C)C)NC(=O)C2=CC=C(C=C2)OCC3=NC=CN3C

DOS

IR

Vibrations