Geometry & MOs

Info

ID:	378881
PubChem CID:	134224983
Reduced:	SO2N7H15C16 (1)
Stoich.:	AB2C7D15E16 (1)
Weight, g/mol:	218.126657
ΔH_f, kcal/mol:	60.92
Dipole, Da:	7.89
IP(EA), eV:	-8.93(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxymethyl 5-tert-butyl-1,2,6-oxadiazinane-3-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)(C#N)NC2=NC(=NC=C2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations