Geometry & MOs

Info

ID:

113517

PubChem CID:

50449616

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-266.34

Dipole, Da:

4.45

IP(EA), eV:

 -8.86(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCCCC4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations