Geometry & MOs

Info

ID:	447155
PubChem CID:	135280760
Reduced:	ON4C15H32 (1)
Stoich.:	AB4C15D32 (1)
Weight, g/mol:	624.20542
ΔH_f, kcal/mol:	-90.75
Dipole, Da:	2.45
IP(EA), eV:	-8.6(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC(CC1)NC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations