Geometry & MOs

Info

ID:	29050
PubChem CID:	831323
Reduced:	SN3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	313.059506
ΔH_f, kcal/mol:	96.04
Dipole, Da:	4.69
IP(EA), eV:	-8.31(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations