Geometry & MOs

Info

ID:	261888
PubChem CID:	103257064
Reduced:	NSO4C11H19 (1)
Stoich.:	ABC4D11E19 (1)
Weight, g/mol:	241.111422
ΔH_f, kcal/mol:	-163.91
Dipole, Da:	4.37
IP(EA), eV:	-9.56(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NCC2CCCS2(=O)=O

DOS

IR

Vibrations