Geometry & MOs

Info

ID:	52431
PubChem CID:	12015292
Reduced:	BrO2N3H14C22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	400.92922
ΔH_f, kcal/mol:	33.27
Dipole, Da:	5.12
IP(EA), eV:	-8.52(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-1,3-bis(sulfanylidene)imidazo[5,1-b]quinazolin-9-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(NC4=CC=CC=C4C3=O)N(C2=O)C5=CC=C(C=C5)Br

DOS

IR

Vibrations