Geometry & MOs

Info

ID:	261894
PubChem CID:	103257414
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	269.142722
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	8.4
IP(EA), eV:	-9.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](C)NCC2=C(SC(=C2)C(=O)O)C

DOS

IR

Vibrations