Geometry & MOs

Info

ID:

115830

PubChem CID:

50535544

Reduced:

ClFO4N5C33H43 (1)

Stoich.:

ABC4D5E33F43 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-227.62

Dipole, Da:

4.85

IP(EA), eV:

 -8.94(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)F)C)Cl

DOS

IR

Vibrations