Geometry & MOs

Info

ID:	202523
PubChem CID:	79682631
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	305.99253
ΔH_f, kcal/mol:	-119.66
Dipole, Da:	7.1
IP(EA), eV:	-8.74(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-bromophenoxy)ethylsulfanyl]propane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)N1C=CN=C(C1=O)SCC(CO)O

DOS

IR

Vibrations