Geometry & MOs

Info

ID:

116878

PubChem CID:

50579277

Reduced:

ClN3O3C17H21 (2)

Stoich.:

AB3C3D17E21 (2)

Weight, g/mol:

742.22451

ΔHf, kcal/mol:

-241.67

Dipole, Da:

1.57

IP(EA), eV:

 -9.05(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(dimethylcarbamoyl)phenyl]-1-[1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations