Geometry & MOs

Info

ID:	214386
PubChem CID:	84981814
Reduced:	BrFOSN3C16H23 (1)
Stoich.:	ABCDE3F16G23 (1)
Weight, g/mol:	394.180053
ΔH_f, kcal/mol:	-68.12
Dipole, Da:	6.74
IP(EA), eV:	-8.65(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations