Geometry & MOs

Info

ID:

117147

PubChem CID:

50592944

Reduced:

Cl2O4N5C29H29 (1)

Stoich.:

A2B4C5D29E29 (1)

Weight, g/mol:

557.240497

ΔHf, kcal/mol:

-119.82

Dipole, Da:

7.85

IP(EA), eV:

 -8.81(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[5-(diethylcarbamoyl)-2-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl)Cl

DOS

IR

Vibrations