Geometry & MOs

Info

ID:	57382
PubChem CID:	22395802
Reduced:	LiOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	197.05105
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	9.5
IP(EA), eV:	-7.54(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-sulfanylidenecyclohexa-1,5-dien-1-yl)propanoic acid

Drug info:

PubChemData

Smile

[Li+].CCOCC.C1=CC=[C-]C=C1

DOS

IR

Vibrations