Geometry & MOs

Info

ID:

91847

PubChem CID:

49979581

Reduced:

Cl2N5O5C32H39 (1)

Stoich.:

A2B5C5D32E39 (1)

Weight, g/mol:

708.340211

ΔHf, kcal/mol:

-203.54

Dipole, Da:

10.93

IP(EA), eV:

 -8.89(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(2-methylpropylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations