Geometry & MOs

Info

ID:

110398

PubChem CID:

50323167

Reduced:

F2O4N5C36H43 (1)

Stoich.:

A2B4C5D36E43 (1)

Weight, g/mol:

683.309467

ΔHf, kcal/mol:

-242.95

Dipole, Da:

8.53

IP(EA), eV:

 -8.73(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[4-(trifluoromethyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NCC4=CC=C(C=C4)F)C)F

DOS

IR

Vibrations