Geometry & MOs

Info

ID:

90237

PubChem CID:

49967851

Reduced:

N5O6C33H43 (1)

Stoich.:

A5B6C33D43 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-236.54

Dipole, Da:

9.87

IP(EA), eV:

 -8.64(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-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)NCCC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations