Geometry & MOs

Info

ID:	284967
PubChem CID:	104085945
Reduced:	ClNOSC11H16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	263.049526
ΔH_f, kcal/mol:	-47.91
Dipole, Da:	3.37
IP(EA), eV:	-8.96(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)SC(C)CO)Cl)N

DOS

IR

Vibrations