Geometry & MOs

Info

ID:	331498
PubChem CID:	127248905
Reduced:	SF2N2O2C20H26 (1)
Stoich.:	AB2C2D2E20F26 (1)
Weight, g/mol:	408.163827
ΔH_f, kcal/mol:	-149.91
Dipole, Da:	4.48
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC(CC1)(C2=NC(=C(S2)CCOC3=CC(=C(C=C3)F)F)C)O

DOS

IR

Vibrations