Geometry & MOs

Info

ID:	299518
PubChem CID:	117687193
Reduced:	SO4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	276.13953
ΔH_f, kcal/mol:	-152.16
Dipole, Da:	1.14
IP(EA), eV:	-8.58(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(tert-butylsulfanylmethyl)-2-propylpropanedioate

Drug info:

PubChemData

Smile

CC(C)(C)SCC(C)(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations