Geometry & MOs

Info

ID:	291761
PubChem CID:	113474044
Reduced:	ClNOSC14H22 (1)
Stoich.:	ABCDE14F22 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-52.95
Dipole, Da:	2.42
IP(EA), eV:	-8.81(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanylethyl 3-(4-aminophenoxy)propanoate

Drug info:

PubChemData

Smile

CCC(CC1=C(C(=CC=C1)Cl)OCCSCC)N

DOS

IR

Vibrations