Geometry & MOs

Info

ID:	82667
PubChem CID:	49856304
Reduced:	O6C23H36 (1)
Stoich.:	A6B23C36 (1)
Weight, g/mol:	488.231247
ΔH_f, kcal/mol:	-290.04
Dipole, Da:	5.86
IP(EA), eV:	-9.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,4E,6E)-3-hydroxy-2,2,4-trimethyl-7-tributylstannylhepta-4,6-dienoate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](CCC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C=CC(=O)[C@@H](O2)C)C)C)C

DOS

IR

Vibrations