Geometry & MOs

Info

ID:

118102

PubChem CID:

50628872

Reduced:

ClN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

607.151988

ΔHf, kcal/mol:

-239.08

Dipole, Da:

4.78

IP(EA), eV:

 -9.03(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-(3,4-dichloroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)N4CCOCC4

DOS

IR

Vibrations