Geometry & MOs

Info

ID:	158852
PubChem CID:	57244087
Reduced:	ClO5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	229.040879
ΔH_f, kcal/mol:	-261.06
Dipole, Da:	1.83
IP(EA), eV:	-8.92(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[dihydroxy(phenyliminomethyl)-lambda4-sulfanyl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)CCCC=C1C[C@H]2[C@H](O1)C[C@H]([C@@H]2C=C[C@H](C3CCC(C3)CCCl)O)O

DOS

IR

Vibrations