Geometry & MOs

Info

ID:	327309
PubChem CID:	126689482
Reduced:	S2N5O12C24H31 (1)
Stoich.:	A2B5C12D24E31 (1)
Weight, g/mol:	372.09126
ΔH_f, kcal/mol:	-395.68
Dipole, Da:	8.18
IP(EA), eV:	-9.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-sulfoethyl)-1,5-dioxaspiro[5.5]undecan-3-yl]ethanesulfonic acid

Drug info:

PubChemData

Smile

CC1(OCC(C(O1)(N2C(=O)CCC2=O)N3C(=O)CCC3=O)(CS(=O)CCC(=O)[O-])CS(=O)CCC(=O)[O-])CCCN=[N+]=[N-]

DOS

IR

Vibrations