Geometry & MOs

Info

ID:	331514
PubChem CID:	127248921
Reduced:	SF2N2O3C22H28 (1)
Stoich.:	AB2C2D3E22F28 (1)
Weight, g/mol:	434.203942
ΔH_f, kcal/mol:	-202.61
Dipole, Da:	3.16
IP(EA), eV:	-9.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]-4-hydroxyazepan-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C(C)C)O)CCOC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations