Geometry & MOs

Info

ID:	331509
PubChem CID:	127248916
Reduced:	SF2N2O2C23H32 (1)
Stoich.:	AB2C2D2E23F32 (1)
Weight, g/mol:	420.188292
ΔH_f, kcal/mol:	-168.65
Dipole, Da:	3.78
IP(EA), eV:	-8.5(-0.55)
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]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations