Geometry & MOs

Info

ID:	46162
PubChem CID:	10522687
Reduced:	S2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	364.09415
ΔH_f, kcal/mol:	-89.63
Dipole, Da:	4.53
IP(EA), eV:	-8.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,7S,9R,12S,14R)-14-methyl-12-phenylselanyl-6,13-dioxatetracyclo[5.5.1.11,5.09,14]tetradecane

Drug info:

PubChemData

Smile

CC[C@H](/C(=C\C1=CC=CC=C1)/SC2=CC=C(C=C2)C)OS(=O)(=O)C

DOS

IR

Vibrations