Geometry & MOs

Info

ID:	193447
PubChem CID:	78396015
Reduced:	ClSN4O4C22H25 (1)
Stoich.:	ABC4D4E22F25 (1)
Weight, g/mol:	322.10659
ΔH_f, kcal/mol:	-98.1
Dipole, Da:	5.66
IP(EA), eV:	-9.0(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9-bis(furan-2-yl)-6,7,8a,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=C4C=C(C=CC4=O)Cl)NN3

DOS

IR

Vibrations