Geometry & MOs

Info

ID:	67796
PubChem CID:	46507180
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	-83.53
Dipole, Da:	3.83
IP(EA), eV:	-9.3(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N4C1=NNC4=O

DOS

IR

Vibrations