Geometry & MOs

Info

ID:	243187
PubChem CID:	99216669
Reduced:	FSO2N4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	442.0389
ΔH_f, kcal/mol:	-58.63
Dipole, Da:	5.88
IP(EA), eV:	-8.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN(CCCNC(=O)[C@H]1CSCN1C(=O)C2=CNC3=CC=CC=C32)C4=CC=CC=C4F

DOS

IR

Vibrations