Geometry & MOs

Info

ID:	81686
PubChem CID:	49855012
Reduced:	ClSO5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	270.25588
ΔH_f, kcal/mol:	-191.67
Dipole, Da:	7.44
IP(EA), eV:	-8.85(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonyl 6-methylheptanoate

Drug info:

PubChemData

Smile

CCOC(COC1=CC=C(C=C1)Cl)CSC2=CC(=C(C=C2)OC(C)(C)C(=O)O)C

DOS

IR

Vibrations