Geometry & MOs

Info

ID:

94562

PubChem CID:

50002321

Reduced:

FO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

603.303239

ΔHf, kcal/mol:

-279.01

Dipole, Da:

5.32

IP(EA), eV:

 -8.61(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)F

DOS

IR

Vibrations