Geometry & MOs

Info

ID:	67471
PubChem CID:	46506535
Reduced:	ClSN2O3H19C23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	503.118274
ΔH_f, kcal/mol:	-43.45
Dipole, Da:	1.42
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methylanilino)-5-oxo-N-(4-propan-2-ylphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)/C(=C/NCC4=CC=C(C=C4)Cl)/S2(=O)=O

DOS

IR

Vibrations