Geometry & MOs

Info

ID:	11135
PubChem CID:	111432
Reduced:	CaNSO6C8H15 (1)
Stoich.:	ABCD6E8F15 (1)
Weight, g/mol:	293.024599
ΔH_f, kcal/mol:	-322.04
Dipole, Da:	1.65
IP(EA), eV:	-9.23(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate

Drug info:

PubChemData

Smile

CC(C)(CO)C(C(=O)NCCS(=O)(=O)[O-])[O-].[Ca+2]

DOS

IR

Vibrations