Geometry & MOs

Info

ID:	274441
PubChem CID:	103809395
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	1.38
Dipole, Da:	2.59
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(aminomethyl)-N-(1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C(=O)NC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations