Geometry & MOs

Info

ID:

104644

PubChem CID:

50104813

Reduced:

O5N6C29H36 (1)

Stoich.:

A5B6C29D36 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-185.97

Dipole, Da:

7.71

IP(EA), eV:

 -8.85(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[4-chloro-2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)N4CCCC4

DOS

IR

Vibrations