Geometry & MOs

Info

ID:	268036
PubChem CID:	103597492
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	20.21
Dipole, Da:	2.05
IP(EA), eV:	-8.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(azepan-1-yl)pyridin-4-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC(=C2)C3=NC(=CS3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations