Geometry & MOs

Info

ID:

108507

PubChem CID:

50248330

Reduced:

ClF2O5N6C40H41 (1)

Stoich.:

AB2C5D6E40F41 (1)

Weight, g/mol:

758.279503

ΔHf, kcal/mol:

-249.66

Dipole, Da:

12.83

IP(EA), eV:

 -8.76(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)Cl

DOS

IR

Vibrations