Geometry & MOs

Info

ID:

117437

PubChem CID:

50603092

Reduced:

ClO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

567.261232

ΔHf, kcal/mol:

-179.33

Dipole, Da:

5.58

IP(EA), eV:

 -8.41(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations