Geometry & MOs

Info

ID:

90374

PubChem CID:

49969074

Reduced:

BrClO4N5C33H41 (1)

Stoich.:

ABC4D5E33F41 (1)

Weight, g/mol:

617.35772

ΔHf, kcal/mol:

-160.04

Dipole, Da:

7.83

IP(EA), eV:

 -8.86(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-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=CC(=C(C=C5)Br)Cl

DOS

IR

Vibrations