Geometry & MOs

Info

ID:	67854
PubChem CID:	46507303
Reduced:	FNSCl3O3H7C15 (1)
Stoich.:	ABCD3E3F7G15 (1)
Weight, g/mol:	437.185175
ΔH_f, kcal/mol:	-124.31
Dipole, Da:	7.12
IP(EA), eV:	-9.72(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-oxo-4-phenyl-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Cl)S(=O)(=O)C2=CNC3=C(C2=O)C=C(C=C3F)Cl

DOS

IR

Vibrations