Geometry & MOs

Info

ID:	39706
PubChem CID:	8142005
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-125.67
Dipole, Da:	2.52
IP(EA), eV:	-8.26(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-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)CC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations