Geometry & MOs

Info

ID:

112441

PubChem CID:

50407393

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-247.12

Dipole, Da:

9.91

IP(EA), eV:

 -8.87(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C)C

DOS

IR

Vibrations