Geometry & MOs

Info

ID:	427538
PubChem CID:	135159692
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	383.04671
ΔH_f, kcal/mol:	-50.05
Dipole, Da:	2.93
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N,N-diethyl-1,3-thiazole-2-carboximidamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=N[C@H]1C)C2=NC=CS2)CNCC3=CC=C(C=C3)OC

DOS

IR

Vibrations