Geometry & MOs

Info

ID:	433609
PubChem CID:	135173749
Reduced:	ION2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	558.89888
ΔH_f, kcal/mol:	-6.8
Dipole, Da:	2.36
IP(EA), eV:	-7.92(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 2-O-iodo (2R,3S)-2-(2-iodooxy-2-oxoethyl)-3-methylazetidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)CCCOI

DOS

IR

Vibrations