Geometry & MOs

Info

ID:

113279

PubChem CID:

50438285

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-250.73

Dipole, Da:

8.77

IP(EA), eV:

 -8.81(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC(C)C)C

DOS

IR

Vibrations