Geometry & MOs

Info

ID:

189254

PubChem CID:

77834271

Reduced:

N5O6C40H55 (1)

Stoich.:

A5B6C40D55 (1)

Weight, g/mol:

701.415235

ΔHf, kcal/mol:

-256.22

Dipole, Da:

2.69

IP(EA), eV:

 -8.97(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-acetamido-3-(3-oxoisoindol-1-ylidene)-3-phenylpropanoyl]amino]-N-[1-cyclohexyl-3-hydroxy-5-(2-methylpropylamino)-5-oxopentan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CC(C(CC1CCCCC1)NC(=O)C(C(=C2C3=CC=CC=C3C(=O)N2)C(C)C)N(C(=O)C)C(=O)C(CC4=CC=CC=C4)N)O

DOS

IR

Vibrations