Geometry & MOs

Info

ID:	46152
PubChem CID:	10522570
Reduced:	INO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	362.04212
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	4.7
IP(EA), eV:	-9.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S,4S)-2-phenyl-4-phenylselanyloxolane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCCCCCI)C[N+](=O)[O-]

DOS

IR

Vibrations