Geometry & MOs

Info

ID:	446151
PubChem CID:	135272736
Reduced:	SO2N8C21H22 (1)
Stoich.:	AB2C8D21E22 (1)
Weight, g/mol:	364.121864
ΔH_f, kcal/mol:	58.15
Dipole, Da:	7.07
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(6-ethylpyridin-2-yl)methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC=C1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC(=CC=C4)NS(=O)(=O)C)N

DOS

IR

Vibrations