Geometry & MOs

Info

ID:	229870
PubChem CID:	87569411
Reduced:	N3O6C28H43 (1)
Stoich.:	A3B6C28D43 (1)
Weight, g/mol:	250.125218
ΔH_f, kcal/mol:	-179.52
Dipole, Da:	8.4
IP(EA), eV:	-7.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)ethyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine

Drug info:

PubChemData

Smile

CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](CNC2=C(C(=O)C2=O)NCC3CC3)O)N

DOS

IR

Vibrations