Geometry & MOs

Info

ID:

112212

PubChem CID:

50398646

Reduced:

N6O6C37H46 (1)

Stoich.:

A6B6C37D46 (1)

Weight, g/mol:

569.276883

ΔHf, kcal/mol:

-210.14

Dipole, Da:

2.99

IP(EA), eV:

 -8.23(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-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)OC)NC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations