Geometry & MOs

Info

ID:	177136
PubChem CID:	76139597
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	284.083078
ΔH_f, kcal/mol:	-166.17
Dipole, Da:	6.51
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[4-(2-amino-3-sulfanylpropanoyl)oxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C2C=C(SC2NC1=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations