Geometry & MOs

Info

ID:	219858
PubChem CID:	85164969
Reduced:	NS2O8C30H41 (1)
Stoich.:	AB2C8D30E41 (1)
Weight, g/mol:	608.0577
ΔH_f, kcal/mol:	-328.95
Dipole, Da:	2.97
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethyl methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)COS(=O)(=O)C=CC(C(C(=O)OC(C)(C)C)SCC1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations