Geometry & MOs

Info

ID:	382019
PubChem CID:	134972922
Reduced:	NPCl3O4C8H13 (1)
Stoich.:	ABC3D4E8F13 (1)
Weight, g/mol:	822.493586
ΔH_f, kcal/mol:	-207.42
Dipole, Da:	3.57
IP(EA), eV:	-9.51(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(4R,5S)-2,2-bis[2-(4-fluorophenyl)ethyl]-5-[[methyl-bis[(4-methylphenyl)methyl]azaniumyl]methyl]-1,3-dioxolan-4-yl]methyl-methyl-bis[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCOP(/C=N/C(=O)OCC(Cl)(Cl)Cl)OCC

DOS

IR

Vibrations