Geometry & MOs

Info

ID:	393937
PubChem CID:	135022018
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	435.2441
ΔH_f, kcal/mol:	49.26
Dipole, Da:	5.03
IP(EA), eV:	-9.24(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CN2C3=CC=CC=C3N=N2)O

DOS

IR

Vibrations