Geometry & MOs

Info

ID:

91152

PubChem CID:

49973701

Reduced:

Cl2N5O5C31H37 (1)

Stoich.:

A2B5C5D31E37 (1)

Weight, g/mol:

694.347883

ΔHf, kcal/mol:

-187.91

Dipole, Da:

7.32

IP(EA), eV:

 -9.08(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-4-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations