Geometry & MOs

Info

ID:	57155
PubChem CID:	22395404
Reduced:	NO5H23C25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	197.05105
ΔH_f, kcal/mol:	-132.02
Dipole, Da:	5.68
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-phenylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2N(C(C(=O)O2)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations