Geometry & MOs

Info

ID:	402329
PubChem CID:	135055535
Reduced:	S2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-98.97
Dipole, Da:	3.56
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,4S)-1-tert-butyl-2-oxo-4-propylazetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=C1SCCS1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations