Geometry & MOs

Info

ID:	331494
PubChem CID:	127248901
Reduced:	SN2O3C24H34 (1)
Stoich.:	AB2C3D24E34 (1)
Weight, g/mol:	432.224678
ΔH_f, kcal/mol:	-98.32
Dipole, Da:	2.62
IP(EA), eV:	-8.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C3CCCC3)O)CCOC4=CC=C(C=C4)OC

DOS

IR

Vibrations