Geometry & MOs

Info

ID:	268037
PubChem CID:	103597511
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	6.72
Dipole, Da:	2.93
IP(EA), eV:	-8.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=CC(=C2)C3=NC(=CS3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations