Geometry & MOs

Info

ID:	69954
PubChem CID:	47205936
Reduced:	BrSN2O3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	297.162332
ΔH_f, kcal/mol:	-51.11
Dipole, Da:	5.34
IP(EA), eV:	-9.3(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methylpiperidin-1-yl)butyl]-3-(1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CN(CC1=CC=C(O1)Br)S(=O)(=O)CCC2=CC=CC=N2

DOS

IR

Vibrations