Geometry & MOs

Info

ID:

115220

PubChem CID:

50513795

Reduced:

Cl2O5N6C31H38 (1)

Stoich.:

A2B5C6D31E38 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-202.87

Dipole, Da:

6.25

IP(EA), eV:

 -8.99(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCC2)Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations