Geometry & MOs

Info

ID:

111417

PubChem CID:

50365985

Reduced:

ClN6O6C33H43 (1)

Stoich.:

AB6C6D33E43 (1)

Weight, g/mol:

668.332233

ΔHf, kcal/mol:

-253.19

Dipole, Da:

7.64

IP(EA), eV:

 -8.97(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-methylanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)C(=O)N4CCOCC4

DOS

IR

Vibrations