Geometry & MOs

Info

ID:

116415

PubChem CID:

50559709

Reduced:

ClFO5N6C42H52 (1)

Stoich.:

ABC5D6E42F52 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-259.39

Dipole, Da:

5.72

IP(EA), eV:

 -8.71(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)F)C)Cl

DOS

IR

Vibrations