Geometry & MOs

Info

ID:	336818
PubChem CID:	127255825
Reduced:	FO4N5C18H18 (1)
Stoich.:	AB4C5D18E18 (1)
Weight, g/mol:	228.88091
ΔH_f, kcal/mol:	-126.29
Dipole, Da:	5.7
IP(EA), eV:	-9.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;5-bromo-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O)F

DOS

IR

Vibrations