Geometry & MOs

Info

ID:

111143

PubChem CID:

50353750

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-230.37

Dipole, Da:

6.77

IP(EA), eV:

 -8.86(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC(C4)C

DOS

IR

Vibrations