Geometry & MOs

Info

ID:	290558
PubChem CID:	104644043
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-164.64
Dipole, Da:	5.55
IP(EA), eV:	-9.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-methyl-3-(2-phenylsulfanylethylamino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCCNCC(C)(C(=O)OC)O

DOS

IR

Vibrations