Geometry & MOs

Info

ID:	242750
PubChem CID:	99206060
Reduced:	F2O3N6H18C20 (1)
Stoich.:	A2B3C6D18E20 (1)
Weight, g/mol:	392.168225
ΔH_f, kcal/mol:	-104.37
Dipole, Da:	6.61
IP(EA), eV:	-9.82(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-4-fluoro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC(=NC=C2)N3C=NC=N3)C(=O)C4=CC=CC=C4OC(F)F

DOS

IR

Vibrations