Geometry & MOs

Info

ID:	275895
PubChem CID:	103818820
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	286.125218
ΔH_f, kcal/mol:	61.36
Dipole, Da:	3.51
IP(EA), eV:	-8.7(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC2=CC3=C(C=C2)N=CS3)[N+](=O)[O-]

DOS

IR

Vibrations