Geometry & MOs

Info

ID:	305368
PubChem CID:	124772308
Reduced:	SN4O4C22H36 (1)
Stoich.:	AB4C4D22E36 (1)
Weight, g/mol:	385.218784
ΔH_f, kcal/mol:	-154.88
Dipole, Da:	6.45
IP(EA), eV:	-8.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)/C=C/N(C)C

DOS

IR

Vibrations