Geometry & MOs

Info

ID:

119176

PubChem CID:

50672744

Reduced:

Cl2F3O4N5C34H40 (1)

Stoich.:

A2B3C4D5E34F40 (1)

Weight, g/mol:

637.303097

ΔHf, kcal/mol:

-327.57

Dipole, Da:

11.79

IP(EA), eV:

 -8.93(-0.77)

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-(4-methoxyphenyl)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)C(F)(F)F)Cl

DOS

IR

Vibrations