Geometry & MOs

Info

ID:	162177
PubChem CID:	57393847
Reduced:	O2S2N3H11C17 (1)
Stoich.:	A2B2C3D11E17 (1)
Weight, g/mol:	313.009202
ΔH_f, kcal/mol:	74.77
Dipole, Da:	7.26
IP(EA), eV:	-9.0(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-isothiocyanatophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=C=S

DOS

IR

Vibrations