Geometry & MOs

Info

ID:	213687
PubChem CID:	81064654
Reduced:	BrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	311.203134
ΔH_f, kcal/mol:	-136.11
Dipole, Da:	2.29
IP(EA), eV:	-9.67(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,7-N,5,5-tetramethyl-2-N-(2-propan-2-yloxyethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCC1=CC(=CC=C1)Br

DOS

IR

Vibrations