Geometry & MOs

Info

ID:	166141
PubChem CID:	74642693
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	407.208316
ΔH_f, kcal/mol:	-61.92
Dipole, Da:	5.52
IP(EA), eV:	-9.31(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-ethyl-2,4-dioxo-4aH-quinazolin-1-ium-1-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)CNS(=O)(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations