Geometry & MOs

Info

ID:	172127
PubChem CID:	75470559
Reduced:	ClSN3O3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-31.25
Dipole, Da:	4.32
IP(EA), eV:	-8.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1COCC(N1C(=O)CCSC2=CC=CC=C2Cl)C3=NOC=N3

DOS

IR

Vibrations