Geometry & MOs

Info

ID:	448364
PubChem CID:	135290408
Reduced:	FN3O4C30H32 (1)
Stoich.:	AB3C4D30E32 (1)
Weight, g/mol:	380.04267
ΔH_f, kcal/mol:	-118.54
Dipole, Da:	1.57
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylsulfonyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione

Drug info:

PubChemData

Smile

COCCN1C2=CC=CC=C2N=C1C3CCN(CC3)C(=O)C4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)OC

DOS

IR

Vibrations