Geometry & MOs

Info

ID:

113855

PubChem CID:

50461689

Reduced:

FCl2O4N5C32H34 (1)

Stoich.:

AB2C4D5E32F34 (1)

Weight, g/mol:

738.410483

ΔHf, kcal/mol:

-186.61

Dipole, Da:

5.04

IP(EA), eV:

 -8.9(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations