Geometry & MOs

Info

ID:

91258

PubChem CID:

49974623

Reduced:

N5O6C35H41 (1)

Stoich.:

A5B6C35D41 (1)

Weight, g/mol:

583.256147

ΔHf, kcal/mol:

-198.47

Dipole, Da:

9.79

IP(EA), eV:

 -8.26(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propylcarbamoyl)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(=C(C=C4)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations