Geometry & MOs

Info

ID:	60796
PubChem CID:	26702293
Reduced:	NSF2O6C21H21 (1)
Stoich.:	ABC2D6E21F21 (1)
Weight, g/mol:	435.106434
ΔH_f, kcal/mol:	-304.84
Dipole, Da:	4.17
IP(EA), eV:	-9.77(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluorophenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations