Geometry & MOs

Info

ID:	169518
PubChem CID:	75115286
Reduced:	SN6O6C12H18 (1)
Stoich.:	AB6C6D12E18 (1)
Weight, g/mol:	233.068808
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	3.18
IP(EA), eV:	-9.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-methylidene-4-(4-nitrophenyl)oxolan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)NO

DOS

IR

Vibrations