Geometry & MOs

Info

ID:	396642
PubChem CID:	135028976
Reduced:	O11C35H40 (1)
Stoich.:	A11B35C40 (1)
Weight, g/mol:	238.139137
ΔH_f, kcal/mol:	-384.73
Dipole, Da:	9.18
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butylsulfinylbutylbenzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1[C@H]2C(C([C@@H](C(O2)CO)O)O)O)OC)C(=O)/C=C/C3=CC=C(C=C3)OC4CCCCO4)OCC5=CC=CC=C5

DOS

IR

Vibrations