Geometry & MOs

Info

ID:	278003
PubChem CID:	103832620
Reduced:	BrOSN3H10C13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	348.98845
ΔH_f, kcal/mol:	93.75
Dipole, Da:	3.39
IP(EA), eV:	-9.49(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-(5-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=C(S3)Br)N

DOS

IR

Vibrations