Geometry & MOs

Info

ID:

100425

PubChem CID:

50061328

Reduced:

FO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-196.99

Dipole, Da:

4.82

IP(EA), eV:

 -8.73(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-6-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)F)C)C

DOS

IR

Vibrations