Geometry & MOs

Info

ID:	211035
PubChem CID:	80886467
Reduced:	ClSN3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	265.110965
ΔH_f, kcal/mol:	56.94
Dipole, Da:	1.76
IP(EA), eV:	-8.8(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SC2=NC(=NC=C2Cl)NC

DOS

IR

Vibrations