Geometry & MOs

Info

ID:	139588
PubChem CID:	52566500
Reduced:	SN2O2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	353.0375
ΔH_f, kcal/mol:	-22.14
Dipole, Da:	4.16
IP(EA), eV:	-8.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl] 2-amino-5-bromobenzoate

Drug info:

PubChemData

Smile

C[C@H](C1CC1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)CSC4=CC=CC=C43

DOS

IR

Vibrations