Geometry & MOs

Info

ID:	444664
PubChem CID:	135263168
Reduced:	ClO2F4N4C25H29 (1)
Stoich.:	AB2C4D4E25F29 (1)
Weight, g/mol:	333.00343
ΔH_f, kcal/mol:	-229.12
Dipole, Da:	2.02
IP(EA), eV:	-8.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-bromo-2-(methoxymethyl)phenyl]-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(CO)(F)F)C3=C(C(=NC=C3F)OCCNCCCF)Cl)NC4=CC=CC=C24

DOS

IR

Vibrations