Geometry & MOs

Info

ID:	17145
PubChem CID:	485821
Reduced:	O2C12H17 (2)
Stoich.:	A2B12C17 (2)
Weight, g/mol:	386.24571
ΔH_f, kcal/mol:	-124.92
Dipole, Da:	4.49
IP(EA), eV:	-9.24(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4aR,7aR)-3-[(2S)-2,6-dimethyl-8-phenyloct-6-enyl]-3,4a-dimethyl-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one

Drug info:

PubChemData

Smile

C[C@@H](CCCC(=CCC1=CC=CC=C1)C)C[C@@]2(C[C@@]3([C@@H](CC(=O)O3)OO2)C)C

DOS

IR

Vibrations