Geometry & MOs

Info

ID:	331560
PubChem CID:	127248967
Reduced:	SF2N2O3C22H28 (1)
Stoich.:	AB2C2D3E22F28 (1)
Weight, g/mol:	442.229014
ΔH_f, kcal/mol:	-202.46
Dipole, Da:	8.9
IP(EA), eV:	-9.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-hydroxy-4-[4-methyl-5-(phenoxymethyl)-1,3-thiazol-2-yl]azepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)CC(C)C)O)COC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations