Geometry & MOs

Info

ID:	220893
PubChem CID:	85240278
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	283.089167
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	5.93
IP(EA), eV:	-9.23(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methylpyrazin-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2(C(O2)C(C(C)C)O)[N+](=O)[O-]

DOS

IR

Vibrations