Geometry & MOs

Info

ID:	63012
PubChem CID:	26737981
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	1.48
Dipole, Da:	4.54
IP(EA), eV:	-9.61(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C

DOS

IR

Vibrations