Geometry & MOs

Info

ID:	54682
PubChem CID:	17389092
Reduced:	SN2O3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	456.089226
ΔH_f, kcal/mol:	-50.16
Dipole, Da:	12.1
IP(EA), eV:	-9.01(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)O)N=CC=C2

DOS

IR

Vibrations