Geometry & MOs

Info

ID:	406394
PubChem CID:	135077461
Reduced:	SSeC20H24 (1)
Stoich.:	ABC20D24 (1)
Weight, g/mol:	326.115424
ΔH_f, kcal/mol:	44.92
Dipole, Da:	2.13
IP(EA), eV:	-8.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3-propan-2-yloxy-2-(9H-xanthen-9-yl)propanoic acid

Drug info:

PubChemData

Smile

C[C@@](CCC/C=C/SC1=CC=CC=C1)(C2=CC=CC=C2)[Se]C

DOS

IR

Vibrations