Geometry & MOs

Info

ID:	217371
PubChem CID:	85087710
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	-63.76
Dipole, Da:	4.16
IP(EA), eV:	-8.81(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(CN3C2(C(C3=O)OC4=CC=CC=C4)SC)(C)C

DOS

IR

Vibrations