Geometry & MOs

Info

ID:	67903
PubChem CID:	46507389
Reduced:	S2N3O5C19H19 (1)
Stoich.:	A2B3C5D19E19 (1)
Weight, g/mol:	365.094646
ΔH_f, kcal/mol:	-126.93
Dipole, Da:	7.6
IP(EA), eV:	-8.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2S(=O)(=O)N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations