Geometry & MOs

Info

ID:	192711
PubChem CID:	78303510
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	334.091334
ΔH_f, kcal/mol:	-9.58
Dipole, Da:	4.76
IP(EA), eV:	-9.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-ethyl-3-nitrophenyl)ethenyl]-5-nitro-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N(C(=N2)SCC=C)CCCC3=CC=CC=C3

DOS

IR

Vibrations