Geometry & MOs

Info

ID:

106907

PubChem CID:

50181061

Reduced:

N6O6C35H46 (1)

Stoich.:

A6B6C35D46 (1)

Weight, g/mol:

660.363533

ΔHf, kcal/mol:

-243.56

Dipole, Da:

10.65

IP(EA), eV:

 -8.84(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[3-[2-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]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=C4C(=O)N5CCCCC5

DOS

IR

Vibrations