Geometry & MOs

Info

ID:	284950
PubChem CID:	104085383
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	245.088578
ΔH_f, kcal/mol:	-79.97
Dipole, Da:	4.99
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-ethoxy-4-fluorophenyl)sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CO)SC1=C(C=CC(=C1)C(=O)N(C)C)N

DOS

IR

Vibrations