Geometry & MOs

Info

ID:

111268

PubChem CID:

50360320

Reduced:

FN6O6C41H49 (1)

Stoich.:

AB6C6D41E49 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-267.98

Dipole, Da:

3.07

IP(EA), eV:

 -8.65(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC(=CC=C5)OC)C(=O)NC6CCCCC6

DOS

IR

Vibrations