Geometry & MOs

Info

ID:	343334
PubChem CID:	127266507
Reduced:	O4N5H13C16 (1)
Stoich.:	A4B5C13D16 (1)
Weight, g/mol:	309.054753
ΔH_f, kcal/mol:	22.94
Dipole, Da:	5.48
IP(EA), eV:	-9.18(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)C=CC3=C(C=C(C=N3)[N+](=O)[O-])C(=O)O)C

DOS

IR

Vibrations