Geometry & MOs

Info

ID:	51947
PubChem CID:	12014718
Reduced:	ClSC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	330.105643
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	1.34
IP(EA), eV:	-8.04(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S,3S,6R,7R,9R)-2-[(Z)-4-chlorohex-3-en-3-yl]sulfanyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

Drug info:

PubChemData

Smile

CC/C(=C(\CC)/Cl)/S/C=C/1\C2CCC(C2)C1(C)C

DOS

IR

Vibrations