Geometry & MOs

Info

ID:

106346

PubChem CID:

50158695

Reduced:

ClO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

706.384269

ΔHf, kcal/mol:

-192.89

Dipole, Da:

9.9

IP(EA), eV:

 -8.76(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NC6=CC=CC=C6)Cl)C

DOS

IR

Vibrations