Geometry & MOs

Info

ID:	196434
PubChem CID:	78826219
Reduced:	BrSO2N3H14C19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	434.098352
ΔH_f, kcal/mol:	1.07
Dipole, Da:	3.74
IP(EA), eV:	-9.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations