Geometry & MOs

Info

ID:	327009
PubChem CID:	126688849
Reduced:	NSO5C9H19 (1)
Stoich.:	ABC5D9E19 (1)
Weight, g/mol:	253.098394
ΔH_f, kcal/mol:	-225.58
Dipole, Da:	5.3
IP(EA), eV:	-9.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-2-hydroxy-7-oxoheptane-3-sulfonic acid

Drug info:

PubChemData

Smile

CCCC(=O)C(C(C)O)(N(C)C)S(=O)(=O)O

DOS

IR

Vibrations