Geometry & MOs

Info

ID:	219600
PubChem CID:	85149431
Reduced:	N3Si3O8C25H47 (1)
Stoich.:	A3B3C8D25E47 (1)
Weight, g/mol:	600.094227
ΔH_f, kcal/mol:	-511.06
Dipole, Da:	1.17
IP(EA), eV:	-9.5(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxopurin-3-ium-8-yl]methyl]phenyl]-5-chlorothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCOC(=O)CCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations