Geometry & MOs

Info

ID:	124953
PubChem CID:	50905175
Reduced:	N4O5C17H18 (1)
Stoich.:	A4B5C17D18 (1)
Weight, g/mol:	450.261754
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	3.02
IP(EA), eV:	-9.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylethyl)-6-[(2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]octa-1,7-diene-3,6-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)[C@@H](CO)O)O)O

DOS

IR

Vibrations