Geometry & MOs

Info

ID:	28027
PubChem CID:	825085
Reduced:	ClN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	180.046967
ΔH_f, kcal/mol:	78.91
Dipole, Da:	6.2
IP(EA), eV:	-8.73(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazole-2,5,6-triamine

Drug info:

PubChemData

Smile

C[C@@](C#N)(C1=CN=CC=C1)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations