Geometry & MOs

Info

ID:	268045
PubChem CID:	103597549
Reduced:	O2S2N3H13C16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	323.05509
ΔH_f, kcal/mol:	81.13
Dipole, Da:	6.37
IP(EA), eV:	-8.88(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-ethylsulfanylpyridin-4-yl)-1,3-thiazol-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CCSC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations