Geometry & MOs

Info

ID:	161483
PubChem CID:	57391778
Reduced:	FN4H21C25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	340.218449
ΔH_f, kcal/mol:	93.83
Dipole, Da:	3.86
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-[3-(dimethylamino)propylsulfanyl]ethyl]-1,3-oxazol-2-yl]octan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN[C@H](C2)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations