Geometry & MOs

Info

ID:

90730

PubChem CID:

49971763

Reduced:

O5N6C40H58 (1)

Stoich.:

A5B6C40D58 (1)

Weight, g/mol:

754.421797

ΔHf, kcal/mol:

-233.95

Dipole, Da:

9.17

IP(EA), eV:

 -8.83(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations