Geometry & MOs

Info

ID:

115076

PubChem CID:

50507906

Reduced:

ClN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

734.299489

ΔHf, kcal/mol:

-214.23

Dipole, Da:

6.33

IP(EA), eV:

 -8.66(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC)Cl

DOS

IR

Vibrations