Geometry & MOs

Info

ID:

119276

PubChem CID:

50676279

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

734.392247

ΔHf, kcal/mol:

-230.21

Dipole, Da:

3.76

IP(EA), eV:

 -8.8(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations