Geometry & MOs

Info

ID:	14079
PubChem CID:	403590
Reduced:	FSO3N5H16C24 (1)
Stoich.:	ABC3D5E16F24 (1)
Weight, g/mol:	473.095789
ΔH_f, kcal/mol:	-9.86
Dipole, Da:	6.21
IP(EA), eV:	-8.99(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N=NC4=C(NC5=C4C=C(C=C5)F)O

DOS

IR

Vibrations