Geometry & MOs

Info

ID:	56205
PubChem CID:	17422538
Reduced:	SF3N4H13C16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	6.1
IP(EA), eV:	-8.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=CC=CC=C2C(F)(F)F)C3=CN=CC=C3

DOS

IR

Vibrations