Geometry & MOs

Info

ID:	53501
PubChem CID:	14716380
Reduced:	NSF3O3H10C11 (1)
Stoich.:	ABC3D3E10F11 (1)
Weight, g/mol:	255.056529
ΔH_f, kcal/mol:	-265.68
Dipole, Da:	2.9
IP(EA), eV:	-9.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC(CS)C(=O)O

DOS

IR

Vibrations