Geometry & MOs

Info

ID:

114547

PubChem CID:

50487912

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-228.36

Dipole, Da:

7.74

IP(EA), eV:

 -8.6(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations