Geometry & MOs

Info

ID:	325671
PubChem CID:	126684422
Reduced:	SO7C15H28 (1)
Stoich.:	AB7C15D28 (1)
Weight, g/mol:	386.230453
ΔH_f, kcal/mol:	-357.04
Dipole, Da:	3.9
IP(EA), eV:	-10.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-(4-ethyl-6-formyloxy-3,4-dimethylhexan-3-yl) 1-O-(2-propan-2-yloxyethyl) (E)-but-2-enedioate

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)OCCOC(=O)CS(=O)(=O)O)C(C)(C)C

DOS

IR

Vibrations