Geometry & MOs

Info

ID:	31729
PubChem CID:	3288060
Reduced:	BrSN2O5C19H25 (1)
Stoich.:	ABC2D5E19F25 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	-200.3
Dipole, Da:	4.56
IP(EA), eV:	-9.29(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-pentylacetamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C(=CC(=C2)Br)S(=O)(=O)N3CCC(CC3)C(=O)OCC

DOS

IR

Vibrations