Geometry & MOs

Info

ID:	84944
PubChem CID:	49870829
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	462.225368
ΔH_f, kcal/mol:	-157.92
Dipole, Da:	4.28
IP(EA), eV:	-9.99(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4R,7E)-4-acetyloxy-7-[(2S)-2-acetyloxy-2-[(Z,4R)-4-hydroxyoct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@]3([C@H]2CC=C(CC3)C=O)C)C(=O)O

DOS

IR

Vibrations