Geometry & MOs

Info

ID:	201868
PubChem CID:	79593902
Reduced:	BrNC16H20 (1)
Stoich.:	ABC16D20 (1)
Weight, g/mol:	318.070799
ΔH_f, kcal/mol:	16.61
Dipole, Da:	4.5
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-propan-2-yloxyethanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(CCC1=CC=C(C2=CC=CC=C12)Br)CN

DOS

IR

Vibrations