Geometry & MOs

Info

ID:

108604

PubChem CID:

50251426

Reduced:

ClF2N5O5C33H36 (1)

Stoich.:

AB2C5D5E33F36 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-260.49

Dipole, Da:

3.15

IP(EA), eV:

 -8.62(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations