Geometry & MOs

Info

ID:	215924
PubChem CID:	85085449
Reduced:	SO2H4N4C6 (1)
Stoich.:	AB2C4D4E6 (1)
Weight, g/mol:	196.084792
ΔH_f, kcal/mol:	72.52
Dipole, Da:	2.48
IP(EA), eV:	-9.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-nitro-5-pent-1-enyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=NO)C(=O)N=[N+]=[N-]

DOS

IR

Vibrations