Geometry & MOs

Info

ID:	290559
PubChem CID:	104644044
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	6.51
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-(4-ethylphenyl)ethylamino]-2-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(CNCCSC1=CC=CC=C1)(C(=O)O)O

DOS

IR

Vibrations