Geometry & MOs

Info

ID:

111770

PubChem CID:

50380843

Reduced:

F3N5O5C30H36 (1)

Stoich.:

A3B5C5D30E36 (1)

Weight, g/mol:

577.290034

ΔHf, kcal/mol:

-346.59

Dipole, Da:

4.65

IP(EA), eV:

 -9.03(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetylanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)N4CCOCC4

DOS

IR

Vibrations