Geometry & MOs

Info

ID:	67797
PubChem CID:	46507181
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	3.31
IP(EA), eV:	-8.87(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-(2-methylpropyl)-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NNC(=S)N23)CC(C)C

DOS

IR

Vibrations