Geometry & MOs

Info

ID:

109900

PubChem CID:

50301298

Reduced:

FO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-253.41

Dipole, Da:

10.78

IP(EA), eV:

 -8.65(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C)F)C(=O)NC(C)C

DOS

IR

Vibrations