Geometry & MOs

Info

ID:	261537
PubChem CID:	103239010
Reduced:	N2S2O4C9H14 (1)
Stoich.:	A2B2C4D9E14 (1)
Weight, g/mol:	241.111422
ΔH_f, kcal/mol:	-140.61
Dipole, Da:	7.86
IP(EA), eV:	-9.46(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-fluorophenyl)ethylamino]-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCNCC1=C(SC=C1)C(=O)O

DOS

IR

Vibrations