Geometry & MOs

Info

ID:	31551
PubChem CID:	855861
Reduced:	ClSN2O2H13C16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	312.056863
ΔH_f, kcal/mol:	11.72
Dipole, Da:	3.42
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations