Geometry & MOs

Info

ID:

118665

PubChem CID:

50652924

Reduced:

ClO5N6C38H49 (1)

Stoich.:

AB5C6D38E49 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-214.88

Dipole, Da:

3.95

IP(EA), eV:

 -8.94(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamido-3-methylphenyl)-1-[1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6CCCC6

DOS

IR

Vibrations