Geometry & MOs

Info

ID:	54491
PubChem CID:	17388769
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	193.986103
ΔH_f, kcal/mol:	-2.47
Dipole, Da:	3.89
IP(EA), eV:	-8.38(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1,2,3-trihydroxypropane-2-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NCC(=O)NN/C=C\2/C=CC=CC2=O

DOS

IR

Vibrations