Geometry & MOs

Info

ID:

104065

PubChem CID:

50087145

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-226.44

Dipole, Da:

13.3

IP(EA), eV:

 -8.51(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations