Geometry & MOs

Info

ID:	31637
PubChem CID:	855964
Reduced:	SN4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	315.067762
ΔH_f, kcal/mol:	129.02
Dipole, Da:	8.04
IP(EA), eV:	-9.56(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=N2)C3=CC=CS3

DOS

IR

Vibrations