Geometry & MOs

Info

ID:	207999
PubChem CID:	80478877
Reduced:	SF2O2N3H7C8 (1)
Stoich.:	AB2C2D3E7F8 (1)
Weight, g/mol:	315.97035
ΔH_f, kcal/mol:	-87.46
Dipole, Da:	1.19
IP(EA), eV:	-10.01(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

C1=C(SC=N1)C2=NOC(=N2)CC(C(F)F)O

DOS

IR

Vibrations