Geometry & MOs

Info

ID:	44198
PubChem CID:	10501946
Reduced:	O2C13H19 (2)
Stoich.:	A2B13C19 (2)
Weight, g/mol:	414.132337
ΔH_f, kcal/mol:	-193.84
Dipole, Da:	2.68
IP(EA), eV:	-9.3(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,8R,10S)-9,9-bis(phenylsulfanyl)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C2(CCCC2)O)OC/C=C/C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations