Geometry & MOs

Info

ID:	398629
PubChem CID:	135034427
Reduced:	ClSO7C18H21 (1)
Stoich.:	ABC7D18E21 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-309.06
Dipole, Da:	2.49
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,2S)-6-hydroxy-1-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1C(C([C@@H](C(O1)SC2=CC=C(C=C2)Cl)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations