Geometry & MOs

Info

ID:	179003
PubChem CID:	76417928
Reduced:	S2O3N6C23H34 (1)
Stoich.:	A2B3C6D23E34 (1)
Weight, g/mol:	322.156895
ΔH_f, kcal/mol:	-48.42
Dipole, Da:	10.03
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-butoxyphenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

CCCC1=NC(=C2N1NC(NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCCN(CC4)C)OCC)C

DOS

IR

Vibrations