Geometry & MOs

Info

ID:

117850

PubChem CID:

50618073

Reduced:

ClN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-213.43

Dipole, Da:

11.76

IP(EA), eV:

 -8.72(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-3-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)OC)Cl

DOS

IR

Vibrations