Geometry & MOs

Info

ID:	438932
PubChem CID:	135228693
Reduced:	F3N3O4C24H26 (1)
Stoich.:	A3B3C4D24E26 (1)
Weight, g/mol:	494.215197
ΔH_f, kcal/mol:	-279.43
Dipole, Da:	12.9
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,5R)-2-[(3S)-4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)/C(=C/N)/C=NCC(F)(F)F

DOS

IR

Vibrations