Geometry & MOs

Info

ID:	222765
PubChem CID:	85332431
Reduced:	FO2S2N4H19C22 (1)
Stoich.:	AB2C2D4E19F22 (1)
Weight, g/mol:	524.149146
ΔH_f, kcal/mol:	9.35
Dipole, Da:	6.1
IP(EA), eV:	-8.85(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(4-phenoxyphenyl)sulfonylamino] 5-(1-methyl-2,4-dioxo-4aH-quinazolin-1-ium-3-yl)pentanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4CNNC4C5=CC=C(C=C5)F

DOS

IR

Vibrations