Geometry & MOs

Info

ID:

103942

PubChem CID:

50085945

Reduced:

ClO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-146.42

Dipole, Da:

8.79

IP(EA), eV:

 -8.63(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations