Geometry & MOs

Info

ID:	337867
PubChem CID:	127258490
Reduced:	SO4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-200.16
Dipole, Da:	1.33
IP(EA), eV:	-8.95(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6Z)-6-[(3-nitrophenyl)methylidene]-5-oxocyclohexa-1,3-dien-1-yl]methyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCSCCC(=O)OC

DOS

IR

Vibrations