Geometry & MOs

Info

ID:

106669

PubChem CID:

50172478

Reduced:

N3O3C17H22 (2)

Stoich.:

A3B3C17D22 (2)

Weight, g/mol:

646.347883

ΔHf, kcal/mol:

-234.92

Dipole, Da:

7.48

IP(EA), eV:

 -9.08(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-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)NCC(=O)NC4=CC=CC=C4C(=O)NC5CCCC5

DOS

IR

Vibrations