Geometry & MOs

Info

ID:

91278

PubChem CID:

49974792

Reduced:

F2N5O5C33H35 (1)

Stoich.:

A2B5C5D33E35 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-237.62

Dipole, Da:

9.18

IP(EA), eV:

 -9.03(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(diethylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations