Geometry & MOs

Info

ID:

95078

PubChem CID:

50006153

Reduced:

ClO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

712.394833

ΔHf, kcal/mol:

-192.38

Dipole, Da:

9.64

IP(EA), eV:

 -8.36(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations