Geometry & MOs

Info

ID:	318017
PubChem CID:	126648364
Reduced:	NSF3O4C12H12 (1)
Stoich.:	ABC3D4E12F12 (1)
Weight, g/mol:	343.120192
ΔH_f, kcal/mol:	-291.01
Dipole, Da:	5.04
IP(EA), eV:	-10.0(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]cyclobutyl]oxycarbonyl-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(=O)C1=NC2=C(CCCC2)C(=C1)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations