Geometry & MOs

Info

ID:	159283
PubChem CID:	57269431
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	452.079055
ΔH_f, kcal/mol:	-64.94
Dipole, Da:	4.82
IP(EA), eV:	-10.17(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dinitrofluoren-9-ylidene)-1,3-diethyl-6-sulfanylidene-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCCCCC1CC(=N)CC(=O)C1

DOS

IR

Vibrations