Geometry & MOs

Info

ID:

91391

PubChem CID:

49975634

Reduced:

ClN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

606.316583

ΔHf, kcal/mol:

-216.82

Dipole, Da:

5.83

IP(EA), eV:

 -8.63(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methylanilino)-1-oxopropan-2-yl]-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)NC(C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations