Geometry & MOs

Info

ID:	202527
PubChem CID:	79682758
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	282.05375
ΔH_f, kcal/mol:	-131.36
Dipole, Da:	5.89
IP(EA), eV:	-9.26(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CSCC(CO)O

DOS

IR

Vibrations