Geometry & MOs

Info

ID:

94609

PubChem CID:

50002645

Reduced:

Cl2O3N4C27H34 (1)

Stoich.:

A2B3C4D27E34 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-137.9

Dipole, Da:

5.12

IP(EA), eV:

 -8.99(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-chloro-3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations