Geometry & MOs

Info

ID:

116879

PubChem CID:

50579336

Reduced:

BrClO5N6C35H44 (1)

Stoich.:

ABC5D6E35F44 (1)

Weight, g/mol:

744.320224

ΔHf, kcal/mol:

-200.83

Dipole, Da:

10.02

IP(EA), eV:

 -8.93(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(3-fluorophenyl)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)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)N(C)C)Cl

DOS

IR

Vibrations