Geometry & MOs

Info

ID:	394922
PubChem CID:	135024175
Reduced:	O5C21H26 (1)
Stoich.:	A5B21C26 (1)
Weight, g/mol:	358.178024
ΔH_f, kcal/mol:	-180.9
Dipole, Da:	4.57
IP(EA), eV:	-8.61(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@H]2C[C@H](C[C@H](O2)CCOCC3=CC=CC=C3)O)O

DOS

IR

Vibrations