Geometry & MOs

Info

ID:	132492
PubChem CID:	51370259
Reduced:	BrSN2H17C22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	400.063986
ΔH_f, kcal/mol:	113.22
Dipole, Da:	4.51
IP(EA), eV:	-8.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dichloroanilino)-2-(ethylamino)-4-ethylimino-7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2CC4=CC=C(C=C4)Br

DOS

IR

Vibrations