Geometry & MOs

Info

ID:

119175

PubChem CID:

50672743

Reduced:

Cl3O4N5C33H40 (1)

Stoich.:

A3B4C5D33E40 (1)

Weight, g/mol:

709.240945

ΔHf, kcal/mol:

-183.71

Dipole, Da:

8.29

IP(EA), eV:

 -9.08(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)Cl

DOS

IR

Vibrations