Geometry & MOs

Info

ID:	331532
PubChem CID:	127248939
Reduced:	FSN2O3C24H31 (1)
Stoich.:	ABC2D3E24F31 (1)
Weight, g/mol:	428.168225
ΔH_f, kcal/mol:	-151.38
Dipole, Da:	5.25
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]-1-pyrimidin-2-ylazepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C3CCCC3)O)CCOC4=CC=CC=C4F

DOS

IR

Vibrations