Geometry & MOs

Info

ID:	54392
PubChem CID:	17137226
Reduced:	OSF2N4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	502.0471
ΔH_f, kcal/mol:	-43.02
Dipole, Da:	6.53
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations