Geometry & MOs

Info

ID:	23964
PubChem CID:	607225
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-109.46
Dipole, Da:	7.8
IP(EA), eV:	-9.81(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)CNC2=NS(=O)(=O)C3=CC=CC=C32)O)C

DOS

IR

Vibrations