Geometry & MOs

Info

ID:	134433
PubChem CID:	51695293
Reduced:	FN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	427.162629
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	1.21
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-3-ium-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC2=C(N1CC3=CC(=CC=C3)F)C=CO2

DOS

IR

Vibrations