Geometry & MOs

Info

ID:	354550
PubChem CID:	127287164
Reduced:	S2O3N6C14H16 (1)
Stoich.:	A2B3C6D14E16 (1)
Weight, g/mol:	393.147075
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	3.38
IP(EA), eV:	-8.93(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-1-methyl-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NNC(=O)N3CC4CCCO4

DOS

IR

Vibrations