Geometry & MOs

Info

ID:	216356
PubChem CID:	85086090
Reduced:	ON2S2H6C12 (1)
Stoich.:	AB2C2D6E12 (1)
Weight, g/mol:	258.183109
ΔH_f, kcal/mol:	74.68
Dipole, Da:	6.78
IP(EA), eV:	-9.61(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[5-(1-hydroxypropyl)oxolan-2-yl]oxolan-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=CS2)C3=C4C(=NC=NC4=O)SC31

DOS

IR

Vibrations