Geometry & MOs

Info

ID:	229708
PubChem CID:	87568593
Reduced:	FNSO5C10H18 (1)
Stoich.:	ABCD5E10F18 (1)
Weight, g/mol:	328.26136
ΔH_f, kcal/mol:	-279.44
Dipole, Da:	1.54
IP(EA), eV:	-10.04(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(2-ethylbutyl)-5-methylhexanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC/C=C(/COS(=O)(=O)C)\F

DOS

IR

Vibrations