Geometry & MOs

Info

ID:	172349
PubChem CID:	75497201
Reduced:	N2S2O3C18H18 (1)
Stoich.:	A2B2C3D18E18 (1)
Weight, g/mol:	402.136176
ΔH_f, kcal/mol:	-32.48
Dipole, Da:	4.27
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-prop-2-ynylurea

Drug info:

PubChemData

Smile

C#CCN(C1CCS(=O)(=O)C1)C(=O)NC2=CC=CC(=C2)C3=CC=CS3

DOS

IR

Vibrations