Geometry & MOs

Info

ID:	247147
PubChem CID:	103068182
Reduced:	NSC11H23 (1)
Stoich.:	ABC11D23 (1)
Weight, g/mol:	278.091141
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	0.24
IP(EA), eV:	-8.64(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CSC(C)CC

DOS

IR

Vibrations