Geometry & MOs

Info

ID:	67768
PubChem CID:	46507129
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-38.78
Dipole, Da:	3.42
IP(EA), eV:	-8.89(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-(3-methylbutyl)-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)CCC(C)C

DOS

IR

Vibrations