Geometry & MOs

Info

ID:

111596

PubChem CID:

50374014

Reduced:

ClN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-215.74

Dipole, Da:

7.25

IP(EA), eV:

 -8.92(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[3-[(4-methylbenzoyl)amino]anilino]-1-oxobutan-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)C)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations