Geometry & MOs

Info

ID:	305352
PubChem CID:	124772044
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	403.171834
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	5.99
IP(EA), eV:	-8.21(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]2CCCN2C3=NN=C(S3)N4CCCC4=O

DOS

IR

Vibrations