Geometry & MOs

Info

ID:	11102
PubChem CID:	110915
Reduced:	NSC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	209.123821
ΔH_f, kcal/mol:	-25.78
Dipole, Da:	1.73
IP(EA), eV:	-8.7(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[5,6,7,7a-tetrahydro-4H-1,3-benzothiazole-2,1'-cyclohexane]

Drug info:

PubChemData

Smile

C1CCC2(CC1)N=C3CCCCC3S2

DOS

IR

Vibrations