Geometry & MOs

Info

ID:

98403

PubChem CID:

50043719

Reduced:

ClO4F5N5H31C32 (1)

Stoich.:

AB4C5D5E31F32 (1)

Weight, g/mol:

661.23236

ΔHf, kcal/mol:

-377.71

Dipole, Da:

10.78

IP(EA), eV:

 -8.95(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-[2-(trifluoromethoxy)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations