Geometry & MOs

Info

ID:	242831
PubChem CID:	99213260
Reduced:	ClS2O3N4H13C16 (1)
Stoich.:	AB2C3D4E13F16 (1)
Weight, g/mol:	389.040104
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	3.15
IP(EA), eV:	-9.08(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=CC=C3Cl

DOS

IR

Vibrations