Geometry & MOs

Info

ID:

106827

PubChem CID:

50178199

Reduced:

ClN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

668.332233

ΔHf, kcal/mol:

-216.79

Dipole, Da:

6.61

IP(EA), eV:

 -8.92(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations