Geometry & MOs

Info

ID:	305353
PubChem CID:	124772051
Reduced:	OSN3C24H25 (1)
Stoich.:	ABC3D24E25 (1)
Weight, g/mol:	403.171834
ΔH_f, kcal/mol:	23.94
Dipole, Da:	3.39
IP(EA), eV:	-8.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)C2=CC3=C(C=C2)N4C=C(N=C4S3)C5=CC=CC=C5

DOS

IR

Vibrations