Geometry & MOs

Info

ID:	331495
PubChem CID:	127248902
Reduced:	FSN2O2C24H33 (1)
Stoich.:	ABC2D2E24F33 (1)
Weight, g/mol:	444.244664
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	1.7
IP(EA), eV:	-8.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C3CCCCC3)O)CCOC4=CC=CC=C4F

DOS

IR

Vibrations