Geometry & MOs

Info

ID:	28015
PubChem CID:	824857
Reduced:	O2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	318.04967
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	6.87
IP(EA), eV:	-9.59(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-methyl-1,3-benzothiazole-6-sulfonamide

Drug info:

PubChemData

Smile

C[C@@]12CCC(=O)C=C1CCC[C@@H]2OC(C)(C)C

DOS

IR

Vibrations