Geometry & MOs

Info

ID:

103122

PubChem CID:

50070438

Reduced:

ClF4O4N5C34H36 (1)

Stoich.:

AB4C4D5E34F36 (1)

Weight, g/mol:

671.273082

ΔHf, kcal/mol:

-349.04

Dipole, Da:

5.28

IP(EA), eV:

 -8.57(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[2-(trifluoromethoxy)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F)F

DOS

IR

Vibrations