Geometry & MOs

Info

ID:	302842
PubChem CID:	124397435
Reduced:	NO2S2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	6.03
IP(EA), eV:	-8.67(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-5,6,7,8-tetrahydro-2H-imidazo[2,1-b][1,3]benzothiazol-1-one

Drug info:

PubChemData

Smile

CC1(CC2=C(SC(=C2C(=O)C1)[S@@](=O)C)C#N)C

DOS

IR

Vibrations