Geometry & MOs

Info

ID:

91202

PubChem CID:

49974045

Reduced:

N5O5C36H43 (1)

Stoich.:

A5B5C36D43 (1)

Weight, g/mol:

551.274384

ΔHf, kcal/mol:

-166.51

Dipole, Da:

6.39

IP(EA), eV:

 -8.79(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-methoxyphenyl)-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations