Geometry & MOs

Info

ID:	140036
PubChem CID:	52634959
Reduced:	BrFOSN4H16C18 (1)
Stoich.:	ABCDE4F16G18 (1)
Weight, g/mol:	389.126541
ΔH_f, kcal/mol:	10.13
Dipole, Da:	3.97
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCCC(=O)NC2=CC=C(C=C2)Br)C3=CC=CC=C3F

DOS

IR

Vibrations