Geometry & MOs

Info

ID:

111995

PubChem CID:

50390312

Reduced:

F2O4N5C34H45 (1)

Stoich.:

A2B4C5D34E45 (1)

Weight, g/mol:

756.376597

ΔHf, kcal/mol:

-253.89

Dipole, Da:

8.02

IP(EA), eV:

 -8.87(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations