Geometry & MOs

Info

ID:	147887
PubChem CID:	53787546
Reduced:	NOC22H31 (1)
Stoich.:	ABC22D31 (1)
Weight, g/mol:	262.12388
ΔH_f, kcal/mol:	-41.06
Dipole, Da:	3.2
IP(EA), eV:	-8.42(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-9-oxo-9-(2-sulfanylethoxy)nonanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC(=C1)C2=C(C=CC(=C2)C)O)N(C(C)C)C(C)C

DOS

IR

Vibrations