Geometry & MOs

Info

ID:	341301
PubChem CID:	127263994
Reduced:	INO4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-183.9
Dipole, Da:	1.84
IP(EA), eV:	-9.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(5S)-10,10-dimethyl-4,4-dioxo-4lambda6-thia-3-azatricyclo[5.2.1.01,5]decan-6-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)I)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations