Geometry & MOs

Info

ID:

90581

PubChem CID:

49970503

Reduced:

ClO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-191.38

Dipole, Da:

3.27

IP(EA), eV:

 -8.77(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-acetamido-2-chlorophenyl)-1-[1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=CC(=C6)C)Cl

DOS

IR

Vibrations