Geometry & MOs

Info

ID:	25700
PubChem CID:	629347
Reduced:	NO3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	320.061949
ΔH_f, kcal/mol:	-95.26
Dipole, Da:	8.62
IP(EA), eV:	-9.44(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-naphthalen-2-ylsulfanyl-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CCCCCC(CCC(=O)C=CC1=C(CCCC1(C)C)C)[N+](=O)[O-]

DOS

IR

Vibrations