Geometry & MOs

Info

ID:	167053
PubChem CID:	74773834
Reduced:	BrN2S2O3C18H19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	330.029683
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	2.69
IP(EA), eV:	-8.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations