Geometry & MOs

Info

ID:

108167

PubChem CID:

50233307

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

734.335875

ΔHf, kcal/mol:

-207.42

Dipole, Da:

9.72

IP(EA), eV:

 -8.82(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(butan-2-ylcarbamoyl)-4-chloroanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)Cl

DOS

IR

Vibrations