Geometry & MOs

Info

ID:	67580
PubChem CID:	46506759
Reduced:	FSO2N6H11C16 (1)
Stoich.:	ABC2D6E11F16 (1)
Weight, g/mol:	380.105545
ΔH_f, kcal/mol:	39.05
Dipole, Da:	5.53
IP(EA), eV:	-8.93(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=C(C=C2)F)C3=NSC(=N3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations