Geometry & MOs

Info

ID:	264000
PubChem CID:	103414799
Reduced:	N2Br3O3H9C13 (1)
Stoich.:	A2B3C3D9E13 (1)
Weight, g/mol:	248.028935
ΔH_f, kcal/mol:	-58.32
Dipole, Da:	3.94
IP(EA), eV:	-9.22(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1,3-thiazole-5-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)NC2=C(C=C(C=N2)Br)C(=O)O)Br)Br

DOS

IR

Vibrations