Geometry & MOs

Info

ID:	204167
PubChem CID:	79922252
Reduced:	BrO2S2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	270.183109
ΔH_f, kcal/mol:	-54.82
Dipole, Da:	3.19
IP(EA), eV:	-8.58(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanol

Drug info:

PubChemData

Smile

C1COC2(CCSC2)CC1C(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations