Geometry & MOs

Info

ID:	53043
PubChem CID:	14709457
Reduced:	SN3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	265.067369
ΔH_f, kcal/mol:	96.01
Dipole, Da:	0.39
IP(EA), eV:	-8.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylpyrazol-1-yl)benzo[g][1,3]benzothiazole

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC3=C(S2)C4=CC=CC=C4C=C3)C

DOS

IR

Vibrations