Geometry & MOs

Info

ID:	223408
PubChem CID:	85334989
Reduced:	O6C17H26 (1)
Stoich.:	A6B17C26 (1)
Weight, g/mol:	327.056529
ΔH_f, kcal/mol:	-250.6
Dipole, Da:	6.18
IP(EA), eV:	-9.95(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-5-(3,4-dihydroxyphenyl)penta-2,4-dienenitrile

Drug info:

PubChemData

Smile

CC1CCC=CC(=O)OCCOCCOCCOC(=O)C=CC1

DOS

IR

Vibrations