Geometry & MOs

Info

ID:	217315
PubChem CID:	85087604
Reduced:	IO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	351.0041
ΔH_f, kcal/mol:	-173.06
Dipole, Da:	5.35
IP(EA), eV:	-9.98(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-bromo-1,3-benzothiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1C=C(C(=O)C2C1OC(O2)(C)C)I

DOS

IR

Vibrations