Geometry & MOs

Info

ID:	276033
PubChem CID:	103820089
Reduced:	NSO3C12H25 (1)
Stoich.:	ABC3D12E25 (1)
Weight, g/mol:	300.140868
ΔH_f, kcal/mol:	-171.22
Dipole, Da:	4.07
IP(EA), eV:	-9.7(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)CCS(=O)(=O)N1CCC(C1)CCO

DOS

IR

Vibrations