Geometry & MOs

Info

ID:

116433

PubChem CID:

50560124

Reduced:

ClN5O5C32H42 (1)

Stoich.:

AB5C5D32E42 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-209.73

Dipole, Da:

8.06

IP(EA), eV:

 -8.3(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4)OC

DOS

IR

Vibrations