Geometry & MOs

Info

ID:

111769

PubChem CID:

50380842

Reduced:

N5O7C31H41 (1)

Stoich.:

A5B7C31D41 (1)

Weight, g/mol:

603.266854

ΔHf, kcal/mol:

-249.64

Dipole, Da:

5.2

IP(EA), eV:

 -8.9(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations