Geometry & MOs

Info

ID:

111038

PubChem CID:

50349074

Reduced:

FN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-250.33

Dipole, Da:

8.4

IP(EA), eV:

 -8.71(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)OC)C

DOS

IR

Vibrations