Geometry & MOs

Info

ID:

119363

PubChem CID:

50680840

Reduced:

BrClN5O5C30H35 (1)

Stoich.:

ABC5D5E30F35 (1)

Weight, g/mol:

720.340211

ΔHf, kcal/mol:

-184.92

Dipole, Da:

7.09

IP(EA), eV:

 -9.01(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)C(=O)NC5=CC=CC=C5Br

DOS

IR

Vibrations