Geometry & MOs

Info

ID:	17144
PubChem CID:	485819
Reduced:	O4C25H34 (1)
Stoich.:	A4B25C34 (1)
Weight, g/mol:	398.24571
ΔH_f, kcal/mol:	-110.98
Dipole, Da:	4.49
IP(EA), eV:	-8.97(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations