Geometry & MOs

Info

ID:	233213
PubChem CID:	89449299
Reduced:	BSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-230.7
Dipole, Da:	4.03
IP(EA), eV:	-8.83(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-phenylethyl] N-[3-methyl-5-[2-[4-(3-oxopropyl)phenyl]ethynyl]-1,2-oxazol-4-yl]carbamate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)C3OCCO3

DOS

IR

Vibrations