Geometry & MOs

Info

ID:	362437
PubChem CID:	127307783
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	4.68
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCOC(C2)C3=NC=CS3)C4=NC=CN=C4

DOS

IR

Vibrations