Geometry & MOs

Info

ID:	134091
PubChem CID:	51642509
Reduced:	OSF3N5C17H20 (1)
Stoich.:	ABC3D5E17F20 (1)
Weight, g/mol:	473.144299
ΔH_f, kcal/mol:	-128.49
Dipole, Da:	6.19
IP(EA), eV:	-9.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)N[C@H]2CCN(C2)CC3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations