Geometry & MOs

Info

ID:	221714
PubChem CID:	85286068
Reduced:	ClO15C25H35 (1)
Stoich.:	AB15C25D35 (1)
Weight, g/mol:	610.93018
ΔH_f, kcal/mol:	-667.04
Dipole, Da:	3.4
IP(EA), eV:	-10.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(2-iodo-4,5-dimethoxyphenyl)-4H-1,2-oxazol-5-ol

Drug info:

PubChemData

Smile

CC1C(C2C(C(O1)OC)OC(O2)(C)C)OC3(C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)Cl

DOS

IR

Vibrations