Geometry & MOs

Info

ID:	268527
PubChem CID:	103599793
Reduced:	BrSN3O3C15H20 (1)
Stoich.:	ABC3D3E15F20 (1)
Weight, g/mol:	422.94439
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	2.14
IP(EA), eV:	-8.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromothiophen-3-yl)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)CNC(=O)C=CC2=CSC(=C2)Br

DOS

IR

Vibrations