Geometry & MOs

Info

ID:	53572
PubChem CID:	14716693
Reduced:	O7F15H17C26 (1)
Stoich.:	A7B15C17D26 (1)
Weight, g/mol:	386.163043
ΔH_f, kcal/mol:	-977.71
Dipole, Da:	2.8
IP(EA), eV:	-10.48(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[6-(diethylamino)-1-benzofuran-2-yl]methylidene]-2-oxo-4-phenyloxolane-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1=C(C(=C(C(=C1F)F)OC(=O)C2=CC=C(C=C2)OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)F)F

DOS

IR

Vibrations