Geometry & MOs

Info

ID:	48030
PubChem CID:	10536700
Reduced:	S2F3C7H11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	216.07212
ΔH_f, kcal/mol:	-187.84
Dipole, Da:	3.89
IP(EA), eV:	-9.53(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-phenylethyl]-1-(1,3-thiazol-2-yl)methanimine

Drug info:

PubChemData

Smile

C1CCC(CC1)SSC(F)(F)F

DOS

IR

Vibrations