Geometry & MOs

Info

ID:	394711
PubChem CID:	135023599
Reduced:	O3H11C13 (2)
Stoich.:	A3B11C13 (2)
Weight, g/mol:	312.07212
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	2.14
IP(EA), eV:	-8.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzothiazol-2-yl)phenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO/C(=C(/O)\C(=C(/OCC2=CC=CC=C2)\C3=CC=CO3)\O)/C4=CC=CO4

DOS

IR

Vibrations