Geometry & MOs

Info

ID:	120749
PubChem CID:	50742930
Reduced:	N2O2H14C15 (2)
Stoich.:	A2B2C14D15 (2)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	4.77
IP(EA), eV:	-8.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-5-oxo-4-propyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=NN3C=CN(C(=O)C3=C2)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations