Geometry & MOs

Info

ID:

112215

PubChem CID:

50398706

Reduced:

ClO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-225.11

Dipole, Da:

8.89

IP(EA), eV:

 -9.1(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations