Geometry & MOs

Info

ID:

119555

PubChem CID:

50689806

Reduced:

ClN6O6C40H55 (1)

Stoich.:

AB6C6D40E55 (1)

Weight, g/mol:

710.355861

ΔHf, kcal/mol:

-270.39

Dipole, Da:

5.84

IP(EA), eV:

 -8.69(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC(C5)C)OC

DOS

IR

Vibrations