Geometry & MOs

Info

ID:

116849

PubChem CID:

50578100

Reduced:

ClO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

726.329646

ΔHf, kcal/mol:

-145.95

Dipole, Da:

8.43

IP(EA), eV:

 -8.47(-0.5)

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-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations