Geometry & MOs

Info

ID:	149010
PubChem CID:	53788681
Reduced:	SO3C25H40 (1)
Stoich.:	AB3C25D40 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-141.71
Dipole, Da:	5.89
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylidene-5-(2-methyloxiran-2-yl)pentanoic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCCCC=CC=C)OS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations