Geometry & MOs

Info

ID:	162489
PubChem CID:	57394844
Reduced:	ClFSN3O4C27H29 (1)
Stoich.:	ABCD3E4F27G29 (1)
Weight, g/mol:	320.997968
ΔH_f, kcal/mol:	-184.64
Dipole, Da:	3.02
IP(EA), eV:	-8.52(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

sodium;2-hydroxy-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)O)OC[C@@H]2C[C@@H](CN2C(=O)CC3=CC(=C(C=C3)NC4=NC5=CC=CC=C5S4)Cl)F

DOS

IR

Vibrations