Geometry & MOs

Info

ID:	331539
PubChem CID:	127248946
Reduced:	FSO2N4C23H29 (1)
Stoich.:	ABC2D4E23F29 (1)
Weight, g/mol:	434.203942
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	1.77
IP(EA), eV:	-9.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[2-(2-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]-1-(oxan-4-yl)azepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC3=CC=NN3C)O)CCOC4=CC=C(C=C4)F

DOS

IR

Vibrations