Geometry & MOs

Info

ID:

117411

PubChem CID:

50602073

Reduced:

ClN6O6C43H49 (1)

Stoich.:

AB6C6D43E49 (1)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-210.32

Dipole, Da:

5.68

IP(EA), eV:

 -8.14(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C)OC

DOS

IR

Vibrations