Geometry & MOs

Info

ID:

106997

PubChem CID:

50185354

Reduced:

F3N5O5C31H38 (1)

Stoich.:

A3B5C5D31E38 (1)

Weight, g/mol:

651.243532

ΔHf, kcal/mol:

-346.48

Dipole, Da:

4.2

IP(EA), eV:

 -9.25(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations