Geometry & MOs

Info

ID:	310199
PubChem CID:	126576503
Reduced:	SN3O6C15H21 (1)
Stoich.:	AB3C6D15E21 (1)
Weight, g/mol:	421.138151
ΔH_f, kcal/mol:	-207.65
Dipole, Da:	2.46
IP(EA), eV:	-9.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[1-(3-ethenylthiophen-2-yl)-2-(2-methylthiophen-3-yl)ethoxy]carbonylamino]hexanoate

Drug info:

PubChemData

Smile

C=C1N[C@H]2CS(=O)(=O)[C@H]([C@H]2N1)CCCCC(=O)ON3C(=O)CCC3=O

DOS

IR

Vibrations