Geometry & MOs

Info

ID:	284757
PubChem CID:	104068867
Reduced:	NOSH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	20.92
Dipole, Da:	4.88
IP(EA), eV:	-9.23(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(hydroxymethyl)phenyl]sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NN=C(O2)CSC3=CC=C(C=C3)CO

DOS

IR

Vibrations