Geometry & MOs

Info

ID:	392285
PubChem CID:	135014116
Reduced:	BrNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	299.0286
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	5.38
IP(EA), eV:	-9.23(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=C(N=C(O2)SC3=CC=CC=C3)Br)O

DOS

IR

Vibrations