Geometry & MOs

Info

ID:	203590
PubChem CID:	79849596
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	285.060569
ΔH_f, kcal/mol:	-111.63
Dipole, Da:	2.03
IP(EA), eV:	-9.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3-benzothiazole-2,6-diamine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC(=O)NC2(CCC2)CC(=O)O

DOS

IR

Vibrations