Geometry & MOs

Info

ID:	53114
PubChem CID:	14709603
Reduced:	SO2N3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	323.072848
ΔH_f, kcal/mol:	15.36
Dipole, Da:	2.83
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC2=NN3C(=O)C4=CC=CC=C4N=C3S2)C

DOS

IR

Vibrations