Geometry & MOs

Info

ID:	179492
PubChem CID:	76490585
Reduced:	ClSO2N3H12C15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	409.226451
ΔH_f, kcal/mol:	16.91
Dipole, Da:	1.57
IP(EA), eV:	-9.36(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-ethoxy-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)NC(=O)C2=NN=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations