Geometry & MOs

Info

ID:	443645
PubChem CID:	135259649
Reduced:	SO5H18C22 (1)
Stoich.:	AB5C18D22 (1)
Weight, g/mol:	322.039672
ΔH_f, kcal/mol:	-103.63
Dipole, Da:	5.99
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3-chlorophenyl)furan-2-yl]chromen-2-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=CC=C(S2)C3=CC(=O)OC4=CC=CC=C43

DOS

IR

Vibrations