Geometry & MOs

Info

ID:	230379
PubChem CID:	87570752
Reduced:	FSO2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	5.35
IP(EA), eV:	-8.34(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxyhexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-ol

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F

DOS

IR

Vibrations