Geometry & MOs

Info

ID:	44460
PubChem CID:	10503651
Reduced:	O4C29H36 (1)
Stoich.:	A4B29C36 (1)
Weight, g/mol:	448.318875
ΔH_f, kcal/mol:	-132.6
Dipole, Da:	3.76
IP(EA), eV:	-8.52(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,6E)-2-[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate

Drug info:

PubChemData

Smile

C[C@]12CC=C3C(=C1CC[C@@H]2COCC4=CC=C(C=C4)OC)CC[C@]56[C@]3(COCO5)C=CCC6

DOS

IR

Vibrations