Geometry & MOs

Info

ID:

120203

PubChem CID:

50717710

Reduced:

ClO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-231.31

Dipole, Da:

5.25

IP(EA), eV:

 -9.14(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methyl-3-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)Cl)C

DOS

IR

Vibrations