Geometry & MOs

Info

ID:	221629
PubChem CID:	85285783
Reduced:	SnO2N3C28H40 (1)
Stoich.:	AB2C3D28E40 (1)
Weight, g/mol:	568.284886
ΔH_f, kcal/mol:	31.79
Dipole, Da:	9.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.028732
Charge, e:	0

Chem-info

IUPAC name:

triethylazanium;2,2,2-trifluoro-N-[2-oxo-1-(phosphonatomethyl)-4-(1,2,3-trihydroxypropyl)azetidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)CCCC.CC(=C1C=CC(=O)C=C1)NC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations