Geometry & MOs

Info

ID:	84071
PubChem CID:	49863991
Reduced:	O17H28C32 (1)
Stoich.:	A17B28C32 (1)
Weight, g/mol:	327.090686
ΔH_f, kcal/mol:	-664.71
Dipole, Da:	2.29
IP(EA), eV:	-8.89(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-3-methoxy-4-oxochromen-6-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](C2=C([C@@H]1O)OC3=C(C2=O)C(=C(C(=C3)O)C4=CC(=C5C(=C4O)C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

DOS

IR

Vibrations