Geometry & MOs

Info

ID:	380110
PubChem CID:	134965037
Reduced:	IN2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	64.95
Dipole, Da:	2.99
IP(EA), eV:	-8.26(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(benzylamino)-2-[(4S)-2-oxospiro[1,3-oxazolidine-5,5'-7-oxabicyclo[2.2.1]hept-2-ene]-4-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(NC=C2)I)N

DOS

IR

Vibrations