Geometry & MOs

Info

ID:

120185

PubChem CID:

50717356

Reduced:

ClN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

730.324561

ΔHf, kcal/mol:

-194.12

Dipole, Da:

7.58

IP(EA), eV:

 -8.86(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-(diethylcarbamoyl)-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC)OC

DOS

IR

Vibrations