Geometry & MOs

Info

ID:

111005

PubChem CID:

50348286

Reduced:

ClO5N6C36H51 (1)

Stoich.:

AB5C6D36E51 (1)

Weight, g/mol:

722.392247

ΔHf, kcal/mol:

-249.35

Dipole, Da:

5.71

IP(EA), eV:

 -8.95(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C(=O)NC(C)C)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations