Geometry & MOs

Info

ID:	245259
PubChem CID:	99443226
Reduced:	NSO2F5H10C15 (1)
Stoich.:	ABC2D5E10F15 (1)
Weight, g/mol:	446.043809
ΔH_f, kcal/mol:	-284.24
Dipole, Da:	3.99
IP(EA), eV:	-9.57(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)F)F)SC(F)(F)F

DOS

IR

Vibrations