Geometry & MOs

Info

ID:	20473
PubChem CID:	584138
Reduced:	O2S2N4H8C15 (1)
Stoich.:	A2B2C4D8E15 (1)
Weight, g/mol:	340.008868
ΔH_f, kcal/mol:	142.81
Dipole, Da:	8.99
IP(EA), eV:	-9.3(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)SC3=NC(=C(C=C3)[N+](=O)[O-])C#N

DOS

IR

Vibrations