Geometry & MOs

Info

ID:

117270

PubChem CID:

50596384

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-198.76

Dipole, Da:

1.88

IP(EA), eV:

 -8.78(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[4-(propanoylamino)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5C)Cl

DOS

IR

Vibrations