Geometry & MOs

Info

ID:	188202
PubChem CID:	77681143
Reduced:	N2O3C9H18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	417.19738
ΔH_f, kcal/mol:	-135.97
Dipole, Da:	7.29
IP(EA), eV:	-9.42(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-3-[4-[5-[[hexanoyl(methyl)amino]methyl]thiophen-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

COCCCNC1CCN(C1)C(=O)O

DOS

IR

Vibrations