Geometry & MOs

Info

ID:	199443
PubChem CID:	79246752
Reduced:	NSF3O4C12H16 (1)
Stoich.:	ABC3D4E12F16 (1)
Weight, g/mol:	229.124883
ΔH_f, kcal/mol:	-323.16
Dipole, Da:	4.48
IP(EA), eV:	-9.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NS(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F

DOS

IR

Vibrations