Geometry & MOs

Info

ID:	121273
PubChem CID:	50761356
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	341.099811
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	4.34
IP(EA), eV:	-8.68(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C(C)C)N

DOS

IR

Vibrations