Geometry & MOs

Info

ID:

105579

PubChem CID:

50126497

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

744.320224

ΔHf, kcal/mol:

-237.63

Dipole, Da:

8.83

IP(EA), eV:

 -8.71(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations