Geometry & MOs

Info

ID:

90718

PubChem CID:

49971729

Reduced:

ClN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-221.32

Dipole, Da:

3.57

IP(EA), eV:

 -8.71(-0.68)

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-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)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations