Geometry & MOs

Info

ID:	275898
PubChem CID:	103818856
Reduced:	SN2O2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	288.104482
ΔH_f, kcal/mol:	11.11
Dipole, Da:	3.81
IP(EA), eV:	-8.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

C1OC2=CC=CC(=C2O1)CNC3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations