Geometry & MOs

Info

ID:	61186
PubChem CID:	26706837
Reduced:	BrFOSN2H16C17 (1)
Stoich.:	ABCDE2F16G17 (1)
Weight, g/mol:	428.107375
ΔH_f, kcal/mol:	-21.71
Dipole, Da:	4.36
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C=CCN(C1=NC2=C(S1)CCCC2)C(=O)C3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations