Geometry & MOs

Info

ID:	392556
PubChem CID:	135017152
Reduced:	N2S2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	355.199488
ΔH_f, kcal/mol:	-30.33
Dipole, Da:	3.62
IP(EA), eV:	-9.32(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,4S)-2-tert-butyl-3-[(2S)-2-ethoxycarbonylhex-5-enoyl]-1,3-oxazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(NC(=O)C(=N1)C2=CC=CS2)C3=CC=CS3

DOS

IR

Vibrations