Geometry & MOs

Info

ID:

99917

PubChem CID:

50056222

Reduced:

N2O2C13H14 (3)

Stoich.:

A2B2C13D14 (3)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-177.5

Dipole, Da:

4.67

IP(EA), eV:

 -8.33(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations