Geometry & MOs

Info

ID:	283886
PubChem CID:	104016560
Reduced:	NOF3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-195.09
Dipole, Da:	2.93
IP(EA), eV:	-9.58(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCCC(F)(F)F)CO

DOS

IR

Vibrations