Geometry & MOs

Info

ID:	291630
PubChem CID:	113454352
Reduced:	BrSN2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	47.26
Dipole, Da:	2.49
IP(EA), eV:	-8.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)SCC2=NC=C(C=C2)Br)N

DOS

IR

Vibrations