Geometry & MOs

Info

ID:	193114
PubChem CID:	78345549
Reduced:	SO2N5C14H17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	311.049038
ΔH_f, kcal/mol:	55.51
Dipole, Da:	5.82
IP(EA), eV:	-8.49(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCOC)C)C=NN2C(=O)C(=C)N=NC2=S

DOS

IR

Vibrations