Geometry & MOs

Info

ID:	134100
PubChem CID:	51644055
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-112.43
Dipole, Da:	7.59
IP(EA), eV:	-9.75(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(1R,2R)-2-methylcyclohexyl]hexanamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations