Geometry & MOs

Info

ID:	331515
PubChem CID:	127248922
Reduced:	FSN2O3C23H31 (1)
Stoich.:	ABC2D3E23F31 (1)
Weight, g/mol:	434.203942
ΔH_f, kcal/mol:	-163.7
Dipole, Da:	5.6
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[2-(2-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)CC(C)C)O)CCOC3=CC=C(C=C3)F

DOS

IR

Vibrations