Geometry & MOs

Info

ID:

96033

PubChem CID:

50018535

Reduced:

FO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

754.421797

ΔHf, kcal/mol:

-250.72

Dipole, Da:

13.26

IP(EA), eV:

 -8.57(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations