Geometry & MOs

Info

ID:	325813
PubChem CID:	126685088
Reduced:	BrOSN4C15H19 (1)
Stoich.:	ABCD4E15F19 (1)
Weight, g/mol:	383.126991
ΔH_f, kcal/mol:	18.3
Dipole, Da:	3.78
IP(EA), eV:	-8.63(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-6-(dimethylamino)-2-(4-oxo-1H-quinazolin-2-ylidene)phenalene-1,3-dione

Drug info:

PubChemData

Smile

CCN(C1=CN(N=C1Br)C2=CN=CC=C2)C(=O)C[C@H](C)SC

DOS

IR

Vibrations