Geometry & MOs

Info

ID:

106916

PubChem CID:

50181143

Reduced:

N5O5C37H45 (1)

Stoich.:

A5B5C37D45 (1)

Weight, g/mol:

648.327148

ΔHf, kcal/mol:

-174.87

Dipole, Da:

6.05

IP(EA), eV:

 -8.26(-0.32)

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-[3-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC(=C5)C)OC)C

DOS

IR

Vibrations