Geometry & MOs

Info

ID:

91246

PubChem CID:

49974482

Reduced:

FN5O6C34H38 (1)

Stoich.:

AB5C6D34E38 (1)

Weight, g/mol:

579.305684

ΔHf, kcal/mol:

-227.68

Dipole, Da:

7.27

IP(EA), eV:

 -9.04(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-(2-methylpropanoylamino)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=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)OC

DOS

IR

Vibrations