Geometry & MOs

Info

ID:	159494
PubChem CID:	57288230
Reduced:	O2C11H19 (2)
Stoich.:	A2B11C19 (2)
Weight, g/mol:	394.99532
ΔH_f, kcal/mol:	-196.08
Dipole, Da:	2.17
IP(EA), eV:	-9.72(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-N-(1-phenylethyl)-2H-1,2,4-benzothiadiazin-3-amine

Drug info:

PubChemData

Smile

CCCC(CC=C[C@@H]1[C@H](CC[C@H]1O)CC=CCCCCO)(C2CC2O)O

DOS

IR

Vibrations