Geometry & MOs

Info

ID:	313455
PubChem CID:	126614820
Reduced:	O2C17H32 (1)
Stoich.:	A2B17C32 (1)
Weight, g/mol:	418.111791
ΔH_f, kcal/mol:	-128.17
Dipole, Da:	3.21
IP(EA), eV:	-9.38(2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methylamino]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]ethanol

Drug info:

PubChemData

Smile

CCCCC(CC)COC1COCCC1C2CCC2

DOS

IR

Vibrations