Geometry & MOs

Info

ID:	219747
PubChem CID:	85164767
Reduced:	NO5C36H55 (1)
Stoich.:	AB5C36D55 (1)
Weight, g/mol:	583.077973
ΔH_f, kcal/mol:	-244.16
Dipole, Da:	9.57
IP(EA), eV:	-9.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-ethyl-1,3-bis[3-(5-nitrothiophen-2-yl)prop-2-enyl]-6-phenylsulfanyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)OCCCC=C1CCC2=C(C1=O)N=C3C(=C2CCCOC(C)(C)C)CCC(=CCCCOC(C)(C)C)C3=O

DOS

IR

Vibrations