Geometry & MOs

Info

ID:	181616
PubChem CID:	76766916
Reduced:	N2C19H20 (1)
Stoich.:	A2B19C20 (1)
Weight, g/mol:	425.10612
ΔH_f, kcal/mol:	60.51
Dipole, Da:	3.47
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[4-(3,3,3-trifluoropropyl)phenyl]ethenyl]phenyl]-1,3-benzothiazol-6-ol

Drug info:

PubChemData

Smile

CC=CC1=C(C(=C(C=C1)C2=CN3C=C(C=CC3=N2)C)C)C

DOS

IR

Vibrations