Geometry & MOs

Info

ID:	320884
PubChem CID:	126664106
Reduced:	SC36H50 (1)
Stoich.:	AB36C50 (1)
Weight, g/mol:	470.98487
ΔH_f, kcal/mol:	75.41
Dipole, Da:	2.54
IP(EA), eV:	-6.52(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5,5-dioxo-4-oxa-5lambda6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] (2S)-2-(aziridin-2-yl)-2-iodopropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2C(C=C1)C3C=CC(=CC3C2S(CCC=C)(C4CCCC4)C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations