Geometry & MOs

Info

ID:	302364
PubChem CID:	124361427
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	416.090746
ΔH_f, kcal/mol:	-139.72
Dipole, Da:	5.53
IP(EA), eV:	-8.82(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy-3-(4-fluorophenyl)chromen-4-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1C[C@H]2C[C@@H](C1)C3=CC=CC(=O)N3C2)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations