Geometry & MOs

Info

ID:	188176
PubChem CID:	77678311
Reduced:	OSF3N5C22H24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	366.095082
ΔH_f, kcal/mol:	-106.41
Dipole, Da:	8.87
IP(EA), eV:	-8.67(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2H-furan-3-yl] 3-hydroxy-2-methoxy-6-prop-1-enylbenzoate

Drug info:

PubChemData

Smile

CCC1C=C(C(=NC1=O)C)C2=CC=C(S2)N(C3CCNCC3)C4=NC=CC(=N4)C(F)(F)F

DOS

IR

Vibrations