Geometry & MOs

Info

ID:	238634
PubChem CID:	92763949
Reduced:	SN2O4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	308.103516
ΔH_f, kcal/mol:	-117.87
Dipole, Da:	8.69
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-phenyl-4-[(4R)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N2C(=O)C[C@H](C2=O)SC3=CC=C(C=C3)N)OC

DOS

IR

Vibrations