Geometry & MOs

Info

ID:	331587
PubChem CID:	127248994
Reduced:	SF2O2N4C22H26 (1)
Stoich.:	AB2C2D4E22F26 (1)
Weight, g/mol:	436.158742
ΔH_f, kcal/mol:	-96.17
Dipole, Da:	3.17
IP(EA), eV:	-9.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-chlorophenoxy)methyl]-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)COC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations