Geometry & MOs

Info

ID:	402897
PubChem CID:	135057739
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-101.63
Dipole, Da:	1.82
IP(EA), eV:	-8.83(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-6-[(E)-pent-3-enyl]oxathiazinane 2,2-dioxide

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1=NC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations