Geometry & MOs

Info

ID:	288506
PubChem CID:	104317887
Reduced:	ClO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	193.077265
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	2.54
IP(EA), eV:	-9.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-hydroxybutylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=CC=C1Cl)C=O)O

DOS

IR

Vibrations