Geometry & MOs

Info

ID:

119091

PubChem CID:

50669686

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

650.298346

ΔHf, kcal/mol:

-225.39

Dipole, Da:

7.74

IP(EA), eV:

 -9.11(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations