Geometry & MOs

Info

ID:	261804
PubChem CID:	103252248
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	299.049526
ΔH_f, kcal/mol:	-68.64
Dipole, Da:	6.24
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)CN/C=C/C(=O)OC)C

DOS

IR

Vibrations