Geometry & MOs

Info

ID:	223368
PubChem CID:	85334923
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	268.03402
ΔH_f, kcal/mol:	5.6
Dipole, Da:	6.02
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-bis(sulfanyl)propyl]-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C(=CN1CCCC2=CC=CC=C21)C#N

DOS

IR

Vibrations