Geometry & MOs

Info

ID:	268038
PubChem CID:	103597513
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-2.67
Dipole, Da:	5.29
IP(EA), eV:	-8.34(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(azepan-1-yl)pyridin-4-yl]-4-(2,5-dimethoxyphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CSC(=N2)C3=CC(=NC=C3)N4CCCCCC4)OC

DOS

IR

Vibrations