Geometry & MOs

Info

ID:	32390
PubChem CID:	7753225
Reduced:	ClS2N3O3C17H20 (1)
Stoich.:	AB2C3D3E17F20 (1)
Weight, g/mol:	395.136887
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	8.15
IP(EA), eV:	-9.22(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=CC=CC=N2

DOS

IR

Vibrations