Geometry & MOs

Info

ID:	208853
PubChem CID:	80595047
Reduced:	OSN2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	293.10204
ΔH_f, kcal/mol:	-71.63
Dipole, Da:	5.34
IP(EA), eV:	-8.92(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-N-(thian-2-ylmethyl)-1,3-benzothiazole-5,6-diamine

Drug info:

PubChemData

Smile

C1CCSC(C1)C(=O)NC2CCCNC2

DOS

IR

Vibrations