Geometry & MOs

Info

ID:	394925
PubChem CID:	135024178
Reduced:	O7C18H28 (1)
Stoich.:	A7B18C28 (1)
Weight, g/mol:	474.225368
ΔH_f, kcal/mol:	-287.63
Dipole, Da:	4.83
IP(EA), eV:	-8.77(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,6S)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]oxane

Drug info:

PubChemData

Smile

COCO[C@@H]1C[C@H](O[C@H](C1)C2=CC(=C(C=C2)OCOC)OC)CCO

DOS

IR

Vibrations