Geometry & MOs

Info

ID:	243461
PubChem CID:	99224142
Reduced:	FSO3N5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	424.172225
ΔH_f, kcal/mol:	-59.13
Dipole, Da:	7.64
IP(EA), eV:	-8.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2CCN(CC2)CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations