Geometry & MOs

Info

ID:

118381

PubChem CID:

50640265

Reduced:

ClN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-218.32

Dipole, Da:

8.42

IP(EA), eV:

 -8.76(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[5-(dimethylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations