Geometry & MOs

Info

ID:	437082
PubChem CID:	135214594
Reduced:	N2O5C11H14 (1)
Stoich.:	A2B5C11D14 (1)
Weight, g/mol:	539.7614
ΔH_f, kcal/mol:	-168.22
Dipole, Da:	4.06
IP(EA), eV:	-9.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(triiodo-lambda4-sulfanyl)propyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

COCCC(=O)OC1=C(C=CN=C1C(=O)N)OC

DOS

IR

Vibrations