Geometry & MOs

Info

ID:	21195
PubChem CID:	587602
Reduced:	NOS3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	305.000277
ΔH_f, kcal/mol:	38.8
Dipole, Da:	3.9
IP(EA), eV:	-8.81(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)disulfanyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SSC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations