Geometry & MOs

Info

ID:

108812

PubChem CID:

50260268

Reduced:

ClF2O5N6C40H41 (1)

Stoich.:

AB2C5D6E40F41 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-242.85

Dipole, Da:

3.46

IP(EA), eV:

 -8.86(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methylanilino)-1-oxopropan-2-yl]-1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F)C)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations