Geometry & MOs

Info

ID:	381455
PubChem CID:	134972202
Reduced:	O5C26H34 (1)
Stoich.:	A5B26C34 (1)
Weight, g/mol:	424.224974
ΔH_f, kcal/mol:	-174.96
Dipole, Da:	4.14
IP(EA), eV:	-9.65(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-5-[(2S)-1-phenylmethoxypent-4-en-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@H]([C@H](O1)[C@@H](CC=C)COCC2=CC=CC=C2)OCC3=CC=CC=C3)CO)C

DOS

IR

Vibrations