Geometry & MOs

Info

ID:	397780
PubChem CID:	135030723
Reduced:	BrO2H11C17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	332.184373
ΔH_f, kcal/mol:	4.5
Dipole, Da:	2.52
IP(EA), eV:	-9.43(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-[2-[(1R)-1-hydroxyhexyl]-1,3-dithian-2-yl]hept-4-en-3-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C23C(C(C2(C(=O)C4=CC=CC=C4O3)Br)C5=CC=CC=C5)C6=C(C(=O)C7=CC=CC=C7O6)Br

DOS

IR

Vibrations