Geometry & MOs

Info

ID:	171669
PubChem CID:	75412288
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	661.367341
ΔH_f, kcal/mol:	-113.2
Dipole, Da:	6.08
IP(EA), eV:	-8.25(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC(=C(C=C1)N)OC2CCCC2

DOS

IR

Vibrations