Geometry & MOs

Info

ID:	144381
PubChem CID:	53359302
Reduced:	FN2O2H15C23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	414.215472
ΔH_f, kcal/mol:	-15.62
Dipole, Da:	2.95
IP(EA), eV:	-8.55(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-4-[(2R,3S)-1-benzyl-4-oxo-3-prop-2-ynoxyazetidin-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)N3C4=CC=CC=C4C=C3C(=N2)C5=CC=CC=C5F

DOS

IR

Vibrations