Geometry & MOs

Info

ID:

91715

PubChem CID:

49978441

Reduced:

ClN5O5C31H40 (1)

Stoich.:

AB5C5D31E40 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-209.57

Dipole, Da:

4.68

IP(EA), eV:

 -8.84(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-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)NCCC(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations