Geometry & MOs

Info

ID:	39707
PubChem CID:	8142008
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	4.0
IP(EA), eV:	-8.82(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)C3CCC3

DOS

IR

Vibrations