Geometry & MOs

Info

ID:

113999

PubChem CID:

50467413

Reduced:

N6O6C41H50 (1)

Stoich.:

A6B6C41D50 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-213.25

Dipole, Da:

8.74

IP(EA), eV:

 -8.55(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCCCC6)OC)C

DOS

IR

Vibrations