Geometry & MOs

Info

ID:	442043
PubChem CID:	135248403
Reduced:	S2O3C5H10 (1)
Stoich.:	A2B3C5D10 (1)
Weight, g/mol:	520.363808
ΔH_f, kcal/mol:	-106.27
Dipole, Da:	6.4
IP(EA), eV:	-8.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[[4-[3-[3-(cyclohexylamino)propylamino]propyl]-1,3-oxazol-2-yl]methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CCC1CCS(=O)S1(=O)=O

DOS

IR

Vibrations