Geometry & MOs

Info

ID:	383451
PubChem CID:	134975184
Reduced:	O4H30C33 (1)
Stoich.:	A4B30C33 (1)
Weight, g/mol:	314.97173
ΔH_f, kcal/mol:	-47.01
Dipole, Da:	5.42
IP(EA), eV:	-9.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-1-bromo-2-phenylethenyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@H]1OC(=O)C2=CC=CC=C2)CCOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=O

DOS

IR

Vibrations