Geometry & MOs

Info

ID:	160131
PubChem CID:	57304831
Reduced:	SN4O4C32H38 (1)
Stoich.:	AB4C4D32E38 (1)
Weight, g/mol:	239.095771
ΔH_f, kcal/mol:	-78.4
Dipole, Da:	4.62
IP(EA), eV:	-9.1(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-ethoxy-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)ethanone

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)CN2C(=NC3=C2C(=O)CCCC3)CCC)C4=CC=CC=C4S(=O)(=O)NC5=C(C(=NO5)C)C

DOS

IR

Vibrations