Geometry & MOs

Info

ID:	24531
PubChem CID:	610759
Reduced:	ClN2S2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	334.036518
ΔH_f, kcal/mol:	66.16
Dipole, Da:	2.59
IP(EA), eV:	-8.14(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3-benzothiazol-5-amine

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)SC(=N2)SCC3=CC=CC=C3Cl

DOS

IR

Vibrations