Geometry & MOs

Info

ID:	402905
PubChem CID:	135057797
Reduced:	NO3S3Cl6H15C23 (1)
Stoich.:	AB3C3D6E15F23 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	2.32
IP(EA), eV:	-9.2(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6-hydroxy-2-propyl-1-benzofuran-3-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=NOC(S2)(SC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations