Geometry & MOs

Info

ID:	366129
PubChem CID:	127319490
Reduced:	S2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	320.083078
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	8.75
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=NNC(=C2)C3=CC=CS3

DOS

IR

Vibrations