Geometry & MOs

Info

ID:	375182
PubChem CID:	131472792
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	221.073517
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	3.41
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(3-methyl-1,2,4-triazin-6-yl)-1,3-thiazol-5-amine

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1CC(=O)O)C(=CS2)O)Br

DOS

IR

Vibrations