Geometry & MOs

Info

ID:

95731

PubChem CID:

50013168

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-210.27

Dipole, Da:

11.47

IP(EA), eV:

 -8.75(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)N(C)C

DOS

IR

Vibrations