Geometry & MOs

Info

ID:	322945
PubChem CID:	126671631
Reduced:	SO7C19H30 (1)
Stoich.:	AB7C19D30 (1)
Weight, g/mol:	391.199488
ΔH_f, kcal/mol:	-305.73
Dipole, Da:	7.23
IP(EA), eV:	-9.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-[4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]prop-2-ynoxy]propoxy]acetic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)COCCCOCCCOS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations