Geometry & MOs

Info

ID:

91577

PubChem CID:

49976996

Reduced:

ClN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

605.321334

ΔHf, kcal/mol:

-211.38

Dipole, Da:

7.44

IP(EA), eV:

 -8.36(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-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)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5Cl)C

DOS

IR

Vibrations