Geometry & MOs

Info

ID:	300572
PubChem CID:	121360581
Reduced:	O9C21H41 (2)
Stoich.:	A9B21C41 (2)
Weight, g/mol:	254.118795
ΔH_f, kcal/mol:	-905.58
Dipole, Da:	7.56
IP(EA), eV:	-9.61(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-3-methylpentoxy)butane-2-sulfonic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](OC([C@@H](C1O)O)CO)OCCCCCOCC(C)(COCCCCCO[C@H]2[C@H](C([C@H](C(O2)CO)O)O)C)COCCCCCO[C@@H](C(C)C)OC(CO)[C@@H](CO)O

DOS

IR

Vibrations