Geometry & MOs

Info

ID:	331503
PubChem CID:	127248910
Reduced:	FSN2O3C20H25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	392.156992
ΔH_f, kcal/mol:	-148.53
Dipole, Da:	2.93
IP(EA), eV:	-9.1(-0.9)
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]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations