Geometry & MOs

Info

ID:	440975
PubChem CID:	135232540
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	485.37029
ΔH_f, kcal/mol:	-12.4
Dipole, Da:	7.82
IP(EA), eV:	-8.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[[2-[3-[3-(cyclohexylamino)propylamino]propyl]tetrazol-5-yl]methyl]-5-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C(C)C)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations