Geometry & MOs

Info

ID:	361743
PubChem CID:	127304559
Reduced:	OSN5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	73.11
Dipole, Da:	2.88
IP(EA), eV:	-9.34(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydro-2-benzofuran-5-yl-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC=NC=C4)C5CC5

DOS

IR

Vibrations