Geometry & MOs

Info

ID:	30145
PubChem CID:	840305
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	249.037211
ΔH_f, kcal/mol:	-36.49
Dipole, Da:	8.21
IP(EA), eV:	-9.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations