Geometry & MOs

Info

ID:	51237
PubChem CID:	12013877
Reduced:	ClN2O6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	300.00111
ΔH_f, kcal/mol:	-209.26
Dipole, Da:	4.9
IP(EA), eV:	-9.86(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S,13S)-13-iodo-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene

Drug info:

PubChemData

Smile

CC(=O)OCOC(=O)N(C(=O)C1=CC=C(C=C1)Cl)N(C(=O)C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations