Geometry & MOs

Info

ID:	336362
PubChem CID:	127255369
Reduced:	NO14C37H55 (1)
Stoich.:	AB14C37D55 (1)
Weight, g/mol:	293.048857
ΔH_f, kcal/mol:	-568.19
Dipole, Da:	6.71
IP(EA), eV:	-8.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCOCCOCCOCCOCCOCCOCCC(=O)O

DOS

IR

Vibrations