Geometry & MOs

Info

ID:	198765
PubChem CID:	79147270
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	225.037898
ΔH_f, kcal/mol:	29.36
Dipole, Da:	5.11
IP(EA), eV:	-8.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloropropyl)-4-methyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)SCC2=CN=CN2C(C)C)N

DOS

IR

Vibrations