Geometry & MOs

Info

ID:	53113
PubChem CID:	14709602
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	337.088498
ΔH_f, kcal/mol:	-28.7
Dipole, Da:	3.2
IP(EA), eV:	-8.97(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NN=C(S2)NC3=CC=CC=C3C(=O)O

DOS

IR

Vibrations