Geometry & MOs

Info

ID:

110172

PubChem CID:

50314397

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-198.37

Dipole, Da:

8.73

IP(EA), eV:

 -8.42(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5F)C)C

DOS

IR

Vibrations