Geometry & MOs

Info

ID:	217880
PubChem CID:	85088528
Reduced:	ON2F3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	408.150764
ΔH_f, kcal/mol:	-173.72
Dipole, Da:	5.25
IP(EA), eV:	-9.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-methyl-5-(1-phenylsulfanylethyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCN(CC1=CC=NC=C1)C(=O)C(F)(F)F)C)C)C

DOS

IR

Vibrations