Geometry & MOs

Info

ID:	288512
PubChem CID:	104317941
Reduced:	OSN4C9H18 (1)
Stoich.:	ABC4D9E18 (1)
Weight, g/mol:	215.078013
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	2.67
IP(EA), eV:	-8.71(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-5-fluorophenyl)sulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=C1SCCC(C)O)N

DOS

IR

Vibrations