Geometry & MOs

Info

ID:	146937
PubChem CID:	53774441
Reduced:	OSH7C9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	247.0667
ΔH_f, kcal/mol:	-29.18
Dipole, Da:	4.06
IP(EA), eV:	-9.29(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4-thiophen-3-ylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=C(C=C2)SSC3=CC4=C(C=C3)C(=O)CC4

DOS

IR

Vibrations