Geometry & MOs

Info

ID:	217457
PubChem CID:	85087853
Reduced:	FN2O2C8H10 (2)
Stoich.:	AB2C2D8E10 (2)
Weight, g/mol:	366.077324
ΔH_f, kcal/mol:	-234.7
Dipole, Da:	6.27
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-4-(2-hydroxyethylsulfanyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC(NN1)C(=O)OC)NC(=O)CC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations