Geometry & MOs

Info

ID:	277994
PubChem CID:	103832539
Reduced:	BrOSN3H10C13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	348.98845
ΔH_f, kcal/mol:	88.48
Dipole, Da:	4.36
IP(EA), eV:	-9.33(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=NC(=NO2)C3=CC(=CS3)Br)N

DOS

IR

Vibrations