Geometry & MOs

Info

ID:

108869

PubChem CID:

50262312

Reduced:

FO5N6C40H41 (1)

Stoich.:

AB5C6D40E41 (1)

Weight, g/mol:

672.282696

ΔHf, kcal/mol:

-177.85

Dipole, Da:

13.27

IP(EA), eV:

 -8.64(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations