Geometry & MOs

Info

ID:

118681

PubChem CID:

50654427

Reduced:

ClO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

744.320224

ΔHf, kcal/mol:

-202.46

Dipole, Da:

8.9

IP(EA), eV:

 -8.46(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations