Geometry & MOs

Info

ID:

117948

PubChem CID:

50621491

Reduced:

ClFN6O6C39H40 (1)

Stoich.:

ABC6D6E39F40 (1)

Weight, g/mol:

758.355861

ΔHf, kcal/mol:

-225.46

Dipole, Da:

3.28

IP(EA), eV:

 -8.72(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[1-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)OC)F)Cl

DOS

IR

Vibrations