Geometry & MOs

Info

ID:	214375
PubChem CID:	84981758
Reduced:	BrFOSN3C16H23 (1)
Stoich.:	ABCDE3F16G23 (1)
Weight, g/mol:	423.174039
ΔH_f, kcal/mol:	-65.39
Dipole, Da:	2.85
IP(EA), eV:	-8.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]-3-(2-methylheptyl)thiourea

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)C1=C(C=CC(=C1)Br)F

DOS

IR

Vibrations