Geometry & MOs

Info

ID:	385880
PubChem CID:	134980220
Reduced:	OC23H32 (1)
Stoich.:	AB23C32 (1)
Weight, g/mol:	468.214803
ΔH_f, kcal/mol:	13.86
Dipole, Da:	0.93
IP(EA), eV:	-7.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3E,5E,7R)-7-acetyloxy-8-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyocta-3,5-dien-2-yl] acetate

Drug info:

PubChemData

Smile

CC1=C([C@]2(CC[C@@H](C([C@@H]2CC1)(C)C)OCC3=CC=CC=C3)C)C=C

DOS

IR

Vibrations