Geometry & MOs

Info

ID:	331500
PubChem CID:	127248907
Reduced:	SF2N2O2C21H28 (1)
Stoich.:	AB2C2D2E21F28 (1)
Weight, g/mol:	422.179477
ΔH_f, kcal/mol:	-155.48
Dipole, Da:	4.88
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCCC(CC1)(C2=NC(=C(S2)CCOC3=CC(=C(C=C3)F)F)C)O

DOS

IR

Vibrations