Geometry & MOs

Info

ID:	174578
PubChem CID:	75788158
Reduced:	FNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	407.076219
ΔH_f, kcal/mol:	-149.29
Dipole, Da:	7.78
IP(EA), eV:	-9.51(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)N(CC3=CC=C(C=C3)F)C4CCS(=O)(=O)C4

DOS

IR

Vibrations