Geometry & MOs

Info

ID:	144345
PubChem CID:	53352973
Reduced:	ClS2N3O4C23H27 (1)
Stoich.:	AB2C3D4E23F27 (1)
Weight, g/mol:	623.106018
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	4.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.883867
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-1-(2-fluorophenyl)ethyl] dipropan-2-yl phosphate;sulfuric acid

Drug info:

PubChemData

Smile

C1COCCN1CCCN(C2=NC3=CC=CC=C3S2)C(=O)CCS(=O)(=O)C4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations