Geometry & MOs

Info

ID:	216649
PubChem CID:	85086559
Reduced:	SN2O4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	288.104482
ΔH_f, kcal/mol:	-184.83
Dipole, Da:	7.66
IP(EA), eV:	-9.39(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(7-azabicyclo[2.2.1]heptan-2-yl)-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C)C(=O)C1CCCN1C(=O)CCS

DOS

IR

Vibrations