Geometry & MOs

Info

ID:	162241
PubChem CID:	57394032
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	533.853
ΔH_f, kcal/mol:	-100.47
Dipole, Da:	6.65
IP(EA), eV:	-8.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-bis[(4-bromophenyl)sulfanyl]quinazoline-5,8-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C1C(=C(C3=NC=NC=C23)O)SCC)N

DOS

IR

Vibrations