Geometry & MOs

Info

ID:	340608
PubChem CID:	127262619
Reduced:	SiN3O4C23H39 (1)
Stoich.:	AB3C4D23E39 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	-194.68
Dipole, Da:	3.0
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-bromoacetyl)-4-hydroxy-3H-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCC2=C(C=CC=C12)/C=N/NO

DOS

IR

Vibrations