Geometry & MOs

Info

ID:	308647
PubChem CID:	126497250
Reduced:	O11C34H54 (1)
Stoich.:	A11B34C54 (1)
Weight, g/mol:	466.384452
ΔH_f, kcal/mol:	-555.33
Dipole, Da:	4.68
IP(EA), eV:	-9.78(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-(2-methylbutan-2-yl)-3,4-di(octan-2-yloxy)thiophene

Drug info:

PubChemData

Smile

C[C@@]12C[C@H]([C@]3(CCC(CC3C1=CCC4C2CCC5C4C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O)O)(C)C)C(=O)O)O

DOS

IR

Vibrations