Geometry & MOs

Info

ID:

118232

PubChem CID:

50635259

Reduced:

ClN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-225.91

Dipole, Da:

8.5

IP(EA), eV:

 -8.18(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[5-[(2,6-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)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl)OC

DOS

IR

Vibrations