Geometry & MOs

Info

ID:

92841

PubChem CID:

49989842

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

734.392247

ΔHf, kcal/mol:

-234.26

Dipole, Da:

10.45

IP(EA), eV:

 -8.8(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC(C)C)Cl

DOS

IR

Vibrations