Geometry & MOs

Info

ID:

90156

PubChem CID:

49966853

Reduced:

FN5O5C36H42 (1)

Stoich.:

AB5C5D36E42 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-211.12

Dipole, Da:

7.74

IP(EA), eV:

 -8.55(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations