Geometry & MOs

Info

ID:	161592
PubChem CID:	57392088
Reduced:	OS2N3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	403.044919
ΔH_f, kcal/mol:	104.59
Dipole, Da:	6.12
IP(EA), eV:	-9.04(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-isothiocyanatophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations