Geometry & MOs

Info

ID:

106249

PubChem CID:

50154485

Reduced:

ClN5O5C32H40 (1)

Stoich.:

AB5C5D32E40 (1)

Weight, g/mol:

676.394833

ΔHf, kcal/mol:

-191.12

Dipole, Da:

6.99

IP(EA), eV:

 -8.98(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(diethylcarbamoyl)-2-methoxyanilino]-3-oxopropyl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations