Geometry & MOs

Info

ID:	27591
PubChem CID:	822433
Reduced:	ClSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	233.94625
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	4.29
IP(EA), eV:	-9.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1[C@@H](C=CC=C[C@H]1Cl)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations