Geometry & MOs

Info

ID:	122520
PubChem CID:	50810279
Reduced:	N2O3S3H22C24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	430.109962
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	4.74
IP(EA), eV:	-8.85(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations