Geometry & MOs

Info

ID:	183052
PubChem CID:	76972069
Reduced:	S3N8O9C22H22 (1)
Stoich.:	A3B8C9D22E22 (1)
Weight, g/mol:	323.992548
ΔH_f, kcal/mol:	-167.97
Dipole, Da:	7.41
IP(EA), eV:	-9.11(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;(2S)-1-hydroxypropane-2-sulfonate;(2R)-1-hydroxypropane-2-sulfonate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC1)C(=O)O

DOS

IR

Vibrations