Geometry & MOs

Info

ID:

98863

PubChem CID:

50046764

Reduced:

FN5O5C34H38 (1)

Stoich.:

AB5C5D34E38 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-213.64

Dipole, Da:

7.74

IP(EA), eV:

 -8.99(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations