Geometry & MOs

Info

ID:

110927

PubChem CID:

50344148

Reduced:

FO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-186.53

Dipole, Da:

9.9

IP(EA), eV:

 -8.83(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCCC5)C)F

DOS

IR

Vibrations